Wide-bandgap semiconductors benefit from development of single-photo sources in gallium nitride 

A graphic showing a model of an atom over a wide-bandgap semiconductor
Single-photon sources based on atom-like features in solid-state materials offer the prospect for integrated, on-demand solid-state platforms and are being intensively explored for numerous mission-related quantum information technologies.

Gallium nitride (GaN) is a very hard, mechanically stable wide-bandgap (WBG) semiconductor that permits devices to operate at much higher voltages, frequencies, and temperatures, and is a key component in LEDs, lasers, and certain radio frequency applications. Single-photon emitting color centers (defects or substituted atoms with optical transitions within the host’s bandgap) in WBG semiconductors are an important platform for quantum information sciences and can provide both on-demand single photons and long-lived quantum spin states. Recent demonstration of single photon emission in GaN and the utility of GaN for LED lighting and high-power electronics led the LDRD team, which included faculty member Kevin Jones at Sandia National/Regional partner University of Florida and faculty member Victor Acosta at Sandia Alliance partner University of New Mexico, to investigate the creation and understanding of single photon emitters in GaN. The energy levels of color centers from defects and transition metal substitutions in GaN were calculated using Sandia-created SeqQuest density functional theory (DFT) code, which avoids typical inaccuracies of DFT for wide bandgap semiconductors, to better understand the origin of recently observed (and to be created) single photon emission in GaN. 

Through this project, the team developed new techniques for improving the accuracy of Sandia’s unique nano-focused ion beam implantation capabilities and created new capabilities for characterizing color centers through focused ion beam implantation. These techniques and capabilities benefit WBG semiconductors used in military, radio and power conversion applications, and act as a foundational technology for new electrical grid and alternative energy devices and vehicles.   


Sandia researchers linked to work 

  • Andrew Mounce 
  • Heejun Byeon 
  • Michael Titze 
  • Peter Schultz 

Sponsored by 

Image of LDRD_Icon-01

Associated Publications

Dongmin Pak, Arindam Nandi, Michael Titze, Edward Bielejec, Hadiseh Alaeian, Mahdi Hosseini, (2022). Long-range cooperative resonances in rare-earth ion arrays inside photonic resonators Communications Physics https://doi.org/10.1038/s42005-022-00871-w Publication ID: 80594

Andrew Mounce, George Wang, Peter Schultz, Michael Titze, DeAnna Campbell, Ping Lu, Jacob Henshaw, (2022). Development of Single Photon Sources in GaN https://doi.org/10.2172/1898965 Publication ID: 80432

Luca Basso, Pauli Kehayias, Jacob Henshaw, Maziar Ziabari, Heejun Byeon, Michael Lilly, Ezra Bussmann, DeAnna Campbell, Shashank Misra, Andrew Mounce, (2022). Electric current paths in a Si:P delta-doped device imaged by nitrogen-vacancy diamond magnetic microscopy Nanotechnology https://doi.org/10.1088/1361-6528/ac95a0 Publication ID: 80317

Arthur Edwards, Peter Schultz, Richard Dobzynski, (2022). Electronic structure of intrinsic defects in c -gallium nitride: Density functional theory study without the jellium approximation Physical Review B https://doi.org/10.1103/physrevb.105.235110 Publication ID: 80845

Peter Schultz, Harold Hjalmarson, (2022). Theory of the metastable injection-bleached E3c center in GaAs Physical Review B https://doi.org/10.1103/PhysRevB.105.224111 Publication ID: 80879

Jacob Henshaw, Pauli Kehayias, Maziar Saleh Ziabari, Michael Titze, Erin Morissette, Kenji Watanabe, Takashi Taniguchi, J. Li, Victor Acosta, Edward Bielejec, Michael Lilly, Andrew Mounce, (2022). Nanoscale solid-state nuclear quadrupole resonance spectroscopy using depth-optimized nitrogen-vacancy ensembles in diamond Applied Physics Letters https://doi.org/10.1063/5.0083774 Publication ID: 80726

Michael Titze, Heejun Byeon, Anthony Flores, Charles Harris, Andrew Mounce, Edward Bielejec, (2022). In Situ Ion Counting for Improved Implanted Ion Error Rate and Silicon Vacancy Yield Uncertainty Nano Letters https://doi.org/10.1021/acs.nanolett.1c04646 Publication ID: 80556

Ezra Bussmann, sean smith, David Scrymgeour, Michael Brumbach, Ping Lu, Sara Dickens, Joseph Michael, Taisuke Ohta, Harold Hjalmarson, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, (2022). Atomic step disorder on polycrystalline surfaces leads to spatially inhomogeneous work functions Journal of Vacuum Science and Technology A https://doi.org/10.1116/6.0001729 Publication ID: 80753

Pauli Kehayias, E. Levine, Luca Basso, J. Henshaw, Maziar Saleh Ziabari, Michael Titze, Raymond Haltli, J. Okoro, D. Tibbetts, D. Udoni, E. Bielejec, M. Lilly, Tzu-Ming Lu, Peter Schwindt, Andrew Mounce, (2022). Measurement and Simulation of the Magnetic Fields from a 555 Timer Integrated Circuit Using a Quantum Diamond Microscope and Finite-Element Analysis Physical Review Applied https://doi.org/10.1103/physrevapplied.17.014021 Publication ID: 80013

Michael Titze, Heejun Byeon, Anthony Flores, Jacob Henshaw, Charles Harris, Andrew Mounce, Edward Bielejec, (2021). In-Situ Ion Counting for Deterministic Placement of Single Photon Emitters https://doi.org/10.2172/1905966 Publication ID: 77078

Michael Titze, Jose Pacheco, Todd Byers, Stuart Van Deusen, Daniel Perry, Duncan Weathers, Edward Bielejec, (2021). Evaluation of the accuracy of stopping and range of ions in matter simulations through secondary ion mass spectrometry and Rutherford backscattering spectrometry for low energy heavy ion implantation Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films https://doi.org/10.1116/6.0001406 Publication ID: 76454

Michael Titze, Alex Belianinov, Anthony Flores, Edward Bielejec, (2021). Novel Focused Ion Beam Applications using the Raith VELION https://doi.org/10.2172/1908741 Publication ID: 77008

Jacob Henshaw, Pauli Kehayias, Maziar Saleh Ziabari, Michael Titze, Erin Morissette, Kenji Watanabe, Jia Li, Edward Bielejec, Michael Lilly, Andrew Mounce, (2021). Optimized High-Sensitivity Nanoscale Nuclear Quadrupolar Resonance Spectroscopy of 11B in hBN through NV ensembles in Diamond https://doi.org/10.2172/1902025 Publication ID: 77054

Andrew Mounce, Bryan Kaehr, Michael Titze, Edward Bielejec, Heejun Byeon, (2021). Single Photon Emitters Coupled to Photonic Wire bonds https://doi.org/10.2172/1828645 Publication ID: 76558

Michael Titze, Heejun Byeon, Vigneshwaran Chandrasekaran, Anthony Flores, Han Htoon, Andrew Mounce, Edward Bielejec, (2021). Focused Ion Beams for Deterministic Nanometer-Scale Quantum Device Fabrication https://doi.org/10.2172/1888388 Publication ID: 75810

Peter Schultz, Arthur Edwards, Andrew Mounce, (2021). Toward predictive simulations of candidate color centers in wide band gap semiconductors https://doi.org/10.2172/1887043 Publication ID: 75598

George Wang, Ping Lu, Keshab Sapkota, Andrew Baczewski, Quinn Campbell, Peter Schultz, Kevin Jones, Emily Turner, Chappel Sharrock, Mark Law, Hongbin Yang, (2021). A New Route to Quantum-Scale Structures through a Novel Enhanced Germanium Diffusion Mechanism https://doi.org/10.2172/1854722 Publication ID: 75930

Luca Basso, Pauli Kehayias, Michael Titze, Maziar Saleh Ziabari, Heejun Byeon, DeAnna Campbell, Ezra Bussmann, Tzu-Ming Lu, Edward Bielejec, Shashank Misra, Michael Lilly, Andrew Mounce, (2021). Integration of Nitrogen Vacancy Diamond for Quantum Sensing of Quantum Materials https://doi.org/10.2172/1888132 Publication ID: 75741

Heejun Byeon, Michael Titze, Jacob Henshaw, Charles Harris, DeAnna Campbell, Peter Schultz, George Wang, Edward Bielejec, Michael Lilly, Andrew Mounce, (2021). Integrated solid-state single photon emitters https://doi.org/10.2172/1888992 Publication ID: 75771

Pauli Kehayias, Jacob Henshaw, Maziar Saleh Ziabari, Michael Titze, Edward Bielejec, Michael Lilly, Andrew Mounce, (2021). A fitting algorithm for optimizing ion implantation energies and fluences Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms https://doi.org/10.1016/j.nimb.2021.05.014 Publication ID: 78815

Peter Schultz, (2021). First-principles calculations of metal surfaces. I. Slab-consistent bulk reference for convergent surface properties Physical Review B https://doi.org/10.1103/physrevb.103.195426 Publication ID: 78653

Peter Schultz, Harold Hjalmarson, Morgann Berg, Ezra Bussmann, David Scrymgeour, Taisuke Ohta, Christopher Moore, (2021). First-principles calculations of metal surfaces. II. Properties of low-index platinum surfaces toward understanding electron emission Physical Review B https://doi.org/10.1103/physrevb.103.195427 Publication ID: 78654

Peter Schultz, Renee Van Ginhoven, Arthur Edwards, (2021). Theoretical study of intrinsic defects in cubic silicon carbide 3C -SiC Physical Review B https://doi.org/10.1103/physrevb.103.195202 Publication ID: 78567

Peter Schultz, (2021). Modeling charged defects and defect levels in semiconductors and oxides with density functional theory ? an improved inside-out perspective https://www.osti.gov/servlets/purl/1869539 Publication ID: 78541

Peter Schultz, Renee Van Ginhoven, Arthur Edwards, (2021). Theory for intrinsic point defects in 3C-SiC reassessed using converged large-supercell calculations https://doi.org/10.2172/1869761 Publication ID: 78571

Arthur Edwards, Andrew Pineda, Renee Van Ginhoven, Peter Schultz, Richard Dobzynski, (2021). Predictions for Yellow Luminescence In Cubic Gallium Nitride Under Pressure https://doi.org/10.2172/1862180 Publication ID: 77929

Justin Koepke, Jeffrey Ivie, Quinn Campbell, Mitchell Brickson, Peter Schultz, Richard Muller, Andrew Baczewski, Andrew Mounce, Ezra Bussmann, Shashank Misra, (2021). Stochastic atomistic disorder in atomic-precision doping https://doi.org/10.2172/1855714 Publication ID: 77610

Jacob Henshaw, Erin Morissette, Pauli Kehayias, Maziar Saleh Ziabari, Tzu-Ming Lu, Sergei Ivanov, Edward Bielejec, Michael Lilly, Jia Li, Andrew Mounce, (2021). Nuclear Magnetic Resonance of Nano-scale Quantum Materials Detected by Nitrogen Vacancy Ensembles in Diamond https://doi.org/10.2172/1855920 Publication ID: 77642

Peter Schultz, Renee Van Ginhoven, Arthur Edwards, (2021). The mystery of the missing neutral Si vacancy in 3C-SiC resolved https://doi.org/10.2172/1855928 Publication ID: 77648

Michael Titze, Vignesh Chandrasekaran, Han Htoon, Edward Bielejec, (2021). An in-situ single photon source detection platform for deterministic nanometer resolution ion implantation https://doi.org/10.2172/1856095 Publication ID: 77687

Mitchell Brickson, Quinn Campbell, Jeffrey Ivie, Justin Koepke, Peter Schultz, Richard Muller, Ezra Bussmann, Andrew Baczewski, Andrew Mounce, Shashank Misra, (2021). Signatures of missing donors in transport through atomically precise P donor chains in Si https://doi.org/10.2172/1854311 Publication ID: 77453

Quinn Campbell, Jeffrey Ivie, Justin Koepke, Mitchell Brickson, Peter Schultz, Richard Muller, Ezra Bussmann, Andrew Baczewski, Andrew Mounce, Shashank Misra, (2021). A chemical model for atomic-precision single-donor incorporation of phosphorus atoms in Si(100)-2×1 https://doi.org/10.2172/1854314 Publication ID: 77455

Jacob Henshaw, Pauli Kehayias, Maziar Saleh Ziabari, Tzu-Ming Lu, Sergei Ivanov, Edward Bielejec, Michael Lilly, Andrew Mounce, (2020). Nuclear Magnetic Resonance of Nano-scale Quantum Materials detected by Nitrogen Vacancy Ensembles in Diamond https://doi.org/10.2172/1833915 Publication ID: 71825

Jacob Henshaw, Pauli Kehayias, Maziar Saleh Ziabari, Tzu-Ming Lu, Sergei Ivanov, Edward Bielejec, Michael Lilly, Andrew Mounce, (2020). Nuclear Magnetic Resonance of Nano-scale quantum materials detected by Nitrogen vacancies in Diamond https://doi.org/10.2172/1831375 Publication ID: 71442

Ezra Bussmann, Jeffrey Ivie, Justin Koepke, Quinn Campbell, Mitchell Brickson, Peter Schultz, Richard Muller, Andrew Baczewski, Andrew Mounce, Shashank Misra, (2020). Stochastic atomistic disorder in atomic-precision doping https://doi.org/10.2172/1831038 Publication ID: 71367

Daniel Hernandez, David Scrymgeour, Ezra Bussmann, Andrew Mounce, (2020). Convolutional neural networks for classification and labeling of defects on atomic scale silicon surfaces https://www.osti.gov/servlets/purl/1819255 Publication ID: 74761

Daniel Noble Hernandez, Jeffrey Ivie, Sergei Kalinin, Maxim Ziatdinov, David Scrymgeour, Ezra Bussmann, Andrew Mounce, (2020). Machine learning detection and classification of defects in STM lithography data https://www.osti.gov/servlets/purl/1822623 Publication ID: 70960

Pauli Kehayias, Ezra Bussmann, Tzu-Ming Lu, Andrew Mounce, (2020). A physically unclonable function using micron-scale magnetic structures and NV diamond magnetic sensing https://www.osti.gov/servlets/purl/1813305 Publication ID: 74479

Michael Titze, Srikanth Namuduri, Hebin Li, (2020). Machine Learning Enable Lineshape Analysis in Optical Two-Dimensional Coherent Spectroscopy https://www.osti.gov/servlets/purl/1782680 Publication ID: 73439

Srikanth Namuduri, Michael Titze, Hebin Li, (2020). Machine learning enabled lineshape analysis in optical two-dimensional coherent spectroscopy Journal of the Optical Society of America. Part B, Optical Physics https://doi.org/10.1364/JOSAB.385195 Publication ID: 73296

Maziar Saleh Ziabari, Jacob Henshaw, Pauli Kehayias, Charles Harris, Edward Bielejec, Dale Huber, Nate Ristoff, Victor Acosta, Michael Lilly, Andrew Mounce, (2020). Magnetic Measurements of SPIONs using NVs in Diamond https://www.osti.gov/servlets/purl/1771047 Publication ID: 73052

Pauli Kehayias, Ezra Bussmann, Tzu-Ming Lu, Andrew Mounce, (2020). A Physically Unclonable Function (PUF) Using Micromagnets and NV Magnetic Imaging https://www.osti.gov/servlets/purl/1766723 Publication ID: 72587

Michael Titze, Vigneshwaran Chandrasekaran, Han Htoon, Edward Bielejec, (2020). An in-situ single photon source detection platform for deterministic nanometer resolution ion implantation https://www.osti.gov/servlets/purl/1783599 Publication ID: 72873

Quinn Campbell, Peter Schultz, Mitchell Brickson, Noah Jacobson, Leon Maurer, Ezra Bussmann, Shashank Misra, Andrew Baczewski, (2020). Modeling the Electronic Structure of Phosphorus Donor Clusters in Quantum Devices https://www.osti.gov/servlets/purl/1766933 Publication ID: 72656

Peter Schultz, Julien Tranchida, Michael Chandross, Aidan Thompson, (2019). From First-Principles toward atomistic understanding of mechanical properties in High-Entropy Alloys https://www.osti.gov/servlets/purl/1643633 Publication ID: 66463

Quinn Campbell, Peter Schultz, Ezra Bussmann, Andrew Baczewski, (2019). Modeling Dopant Incorporation Pathways for APAM Device Fabrication: A First Principles study of Phosphine and Diborane on a Silicon (100) Surface https://www.osti.gov/servlets/purl/1700538 Publication ID: 66029

Michael Titze, Han Htoon, Edward Bielejec, (2019). Design of an Experimental Platform for In-Situ Single Photon Source Detection https://www.osti.gov/servlets/purl/1642604 Publication ID: 65131

Shashank Misra, Daniel Ward, Andrew Baczewski, Quinn Campbell, Scott Schmucker, Andrew Mounce, L. Tracy, Tzu-Ming Lu, Michael Marshall, DeAnna Campbell, (2019). Designer quantum materials https://doi.org/10.2172/1592939 Publication ID: 66521

Michael Titze, Han Htoon, Edward Bielejec, (2019). Design of an Experimental Platform for In-Situ Single Quantum Emitter Detection https://www.osti.gov/servlets/purl/1642062 Publication ID: 65000

Michael Titze, Chengbin Fei, Maria Munoz, Xuewen Wang, He Wang, Hebin Li, (2019). Ultrafast Carrier Dynamics of Dual Emissions from the Orthorhombic Phase in Methylammonium Lead Iodide Perovskites Revealed by Two-Dimensional Coherent Spectroscopy Journal of Physical Chemistry Letters https://doi.org/10.1021/acs.jpclett.9b01583 Publication ID: 70156

Srikanth Namuduri, Michael Titze, Hebin Li, (2019). Automated Linewidth Quantification in 2-D Fourier Transform Spectroscopy using Deep Learning https://www.osti.gov/servlets/purl/1641500 Publication ID: 70278

Clark Kadlec, Michael Goldflam, Edward Bielejec, Emil Kadlec, Preston Webster, Evan Anderson, Peter Schultz, S. Hawkins, J. Klem, Jin Kim, Eric Shaner, (2019). Characterization of Induced Defects in InAsSb from Proton Irradiation using in-situ Lifetime measurements https://www.osti.gov/servlets/purl/1641689 Publication ID: 70550

Julien Tranchida, Aidan Thompson, Peter Schultz, (2019). Machine-learned interatomic potentials and data analysis for quantum accurate multiscale simulations of high-entropy alloys https://www.osti.gov/servlets/purl/1641511 Publication ID: 70302

Andrew Mounce, Cara Monical, Phillip Lewis, Noah Jacobson, Ryan Jock, Joel Wendt, Tammy Pluym, Daniel Ward, Kurt Larson, Michael Lilly, Dwight Luhman, (2019). Feature detection and automation in Si MOS quantum dots toward automated qubit tuning https://www.osti.gov/servlets/purl/1641108 Publication ID: 69649

Andrew Mounce, (2019). Quantum Sensed Magnetism: Nitrogen Vacancies in Diamond for Nano-Scale Magnetometry NMR and ESR https://www.osti.gov/biblio/1645589 Publication ID: 69736

Andrew Mounce, (2019). Quantum Information Science at CINT https://www.osti.gov/servlets/purl/1645357 Publication ID: 68944

Natalie Pitcher, Tara Camacho-Lopez, Richard Muller, Kamlesh Patel, Andrew Mounce, Michael Descour, Steven Rinaldi, Shanalyn Kemme, Andrew Baczewski, Daniel Stick, Stephen Carr, (2019). Research Spotlight Forum: QIS Sandia Presentations https://www.osti.gov/biblio/1645387 Publication ID: 69055

Andrew Mounce, Phillip Lewis, Cara Monical, Noah Jacobson, Martin Rudolph, John Andersen, Joel Wendt, Tammy Pluym, Daniel Ward, Kurt Larson, Michael Lilly, Malcolm Carroll, (2019). Image Analysis Automation and Machine Learning Techniques Applied to MOS Quantum Dot Tune-Up https://www.osti.gov/servlets/purl/1639196 Publication ID: 66561

Michael Lilly, Edward Bielejec, Andrew Mounce, Sergei Ivanov, (2019). Quantum Sensed Nuclear Magnetic Resonance Discovery Platform https://www.osti.gov/servlets/purl/1597185 Publication ID: 64555

Martin Rudolph, Andrew Mounce, Troy England, Ryan Jock, Peter Sharma, Noah Jacobson, Daniel Ward, Tammy Pluym, Beverly Silva, John Anderson, Joel Wendt, Michael Lilly, Malcolm Carroll, (2018). Single-Shot Readout of a S/T Qubit with a Cryogenic AC-Coupled Amplifier in a Lithographic MOS Double Quantum Dot https://www.osti.gov/servlets/purl/1806923 Publication ID: 60112

Ryan Jock, Martin Rudolph, Noah Jacobson, Daniel Ward, Patrick Harvey-Collard, Chloe Bureau-Oxton, Vanita Srinivasa, Andrew Mounce, John Anderson, Ronald Manginell, Joel Wendt, Tammy Pluym, Andrew Baczewski, Matthew Grace, Wayne Witzel, Malcolm Carroll, (2018). Spin-Orbit Qubits in the Sandia Silicon MOS Multi-QD Platform https://www.osti.gov/servlets/purl/1593003 Publication ID: 59778

Peter Schultz, Harold Hjalmarson, (2018). From first-principles defect chemistry to device damage models of radiation effects in III-V semiconductors https://www.osti.gov/servlets/purl/1593578 Publication ID: 59631

Peter Schultz, (2018). Modelling Charged Defects in Non-Cubic Semiconductors for Radiation Effects Studies in Next Generation Materials https://doi.org/10.2172/1481589 Publication ID: 59637

Patrick Harvey-Collard, Noah Jacobson, Chloe Bureau-Oxton, Ryan Jock, Vanita Srinivasa, Andrew Mounce, Daniel Ward, John Anderson, Ronald Manginell, Joel Wendt, Tammy Pluym, Michael Lilly, Dwight Luhman, Michel Pioro-Ladriere, Malcolm Carroll, (2018). Implications of the spin-orbit interaction for singlet-triplet qubits in silicon https://www.osti.gov/servlets/purl/1592312 Publication ID: 59037

Eric Shaner, Clark Kadlec, Michael Goldflam, Edward Bielejec, Preston Webster, Evan Anderson, S. Hawkins, Ben Olson, Emil Kadlec, Jin Kim, Peter Schultz, Anna Tauke-Pedretti, Wesley Coon, Torben Fortune, J. Klem, (2018). Microwave Based Lifetime Measurements and Analysis for Detector Materials https://www.osti.gov/servlets/purl/1592044 Publication ID: 64019

Chloe Bureau-Oxton, Patrick Harvy-Collard, Noah Jacobson, Ryan Jock, Vanita Srinivasa, Andrew Mounce, Daniel Ward, John Anderson, Ronald Manginell, Joel Wendt, Tammy Pluym, Michael Lilly, Dwight Luhman, Michel Pioro-Ladriere, Malcolm Carroll, (2018). AC controlled spin-orbit qubits https://www.osti.gov/servlets/purl/1806696 Publication ID: 63276

Peter Schultz, Clark Kadlec, Edward Bielejec, Michael Goldflam, S. Hawkins, Jin Kim, J. Klem, Jonathan Moussa, Eric Shaner, (2018). Radiation Induced Defects in InAs/InAsSb Type II Superlattices Characterized with Time-resolved Microwave Reflectance and DFT https://www.osti.gov/servlets/purl/1532823 Publication ID: 62956

Ezra Bussmann, Taisuke Ohta, David Scrymgeour, Michael Brumbach, Sean Smith, Harold Hjalmarson, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, (2018). Workfunction of Pt thin films with disorder https://www.osti.gov/servlets/purl/1526804 Publication ID: 62579

Ezra Bussmann, Taisuke Ohta, David Scrymgeour, Michael Brumbach, Sean Smith, Harold Hjalmarson, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, Morgann Berg, (2018). Field emission from Pt thin films with disorder https://www.osti.gov/servlets/purl/1526805 Publication ID: 62580

Peter Schultz, Harold Hjalmarson, Ezra Bussmann, Matthew Hopkins, Sean Smith, Paul Clem, David Scrymgeour, Morgann Berg, Taisuke Ohta, Christopher Moore, (2018). Computing properties of Pt surfaces for understanding electron emission https://www.osti.gov/servlets/purl/1518545 Publication ID: 62213

Christopher Moore, Morgann Berg, Ezra Bussmann, Taisuke Ohta, David Scrymgeour, Sean Smith, Peter Schultz, Harold Hjalmarson, Paul Clem, Matthew Hopkins, (2018). Advancing electrode models for PIC-DSMC simulation of vacuum discharge between real surfaces https://www.osti.gov/servlets/purl/1523774 Publication ID: 62270

Ezra Bussmann, Sean Smith, David Scrymgeour, Taisuke Ohta, Harold Hjalmarson, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, (2018). CHARACTERIZING THE INFLUENCE OF ELECTRODE SURFACE STRUCTURE ON FIELD EMISSION https://www.osti.gov/servlets/purl/1515636 Publication ID: 62162

Ezra Bussmann, Morgann Berg, David Scrymgeour, Michael Brumbach, Taisuke Ohta, Sean Smith, Harold Hjalmarson, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, (2018). Field emission from Pt thin films with disorder https://www.osti.gov/servlets/purl/1515739 Publication ID: 62178

Christopher Moore, Morgann Berg, Michael Brumbach, Ezra Bussmann, Paul Clem, Harold Hjalmarson, Matthew Hopkins, Peter Schultz, David Scrymgeour, Sean Smith, (2018). Modeling field emission from real surfaces https://www.osti.gov/servlets/purl/1506577 Publication ID: 61458

Clark Kadlec, Edward Bielejec, Michael Goldflam, Emil Kadlec, Evan Anderson, Eric Shaner, Jin Kim, Peter Schultz, J. Klem, S. Hawkins, (2018). In-situ Annealing Studies of Radiation Induced Defects in InAs/InAsSb Type-II Superlattices under Ion Irradiation https://www.osti.gov/servlets/purl/1575172 Publication ID: 61585

Ezra Bussmann, Sean Smith, David Scrymgeour, Taisuke Ohta, Harold Hjalmarson, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, (2018). CHARACTERIZING THE INFLUENCE OF ELECTRODE SURFACE STRUCTURE ON FIELD EMISSION https://www.osti.gov/servlets/purl/1575338 Publication ID: 61216

Morgann Berg, Harold Hjalmarson, David Scrymgeour, Michael Brumbach, Peter Schultz, Paul Clem, Matthew Hopkins, Christopher Moore, Taisuke Ohta, Sean Smith, Ezra Bussmann, (2018). Work function of platinum thin films with disorder https://www.osti.gov/servlets/purl/1503439 Publication ID: 61226

Malcolm Carroll, Patrick Harvey-Collard, Noah Jacobson, Ryan Jock, Andrew Mounce, Vanita Srinivasa, Daniel Ward, Joel Wendt, Martin Rudolph, Tammy Pluym, John Gamble, Wayne Witzel, (2018). Implications of the Spin-Orbit Effect for Singlet-Triplet Qubit Operation https://www.osti.gov/servlets/purl/1498242 Publication ID: 60884

Malcolm Carroll, Matthew Curry, Andrew Mounce, Troy England, Ronald Manginell, Joel Wendt, Tammy Pluym, Stephen Carr, (2018). Current-Biased SET-HBT Cryogenic Preamplifier for High-Fidelity Single-Shot Spin Readout https://www.osti.gov/servlets/purl/1498243 Publication ID: 60885

Patrick Harvey-Collard, Ryan Jock, Noah Jacobson, Andrew Baczewski, Andrew Mounce, Matthew Curry, Daniel Ward, John Andersen, Ronald Manginell, Joel Wendt, Martin Rudolph, Tammy Pluym, Michael Lilly, Michel Pioro-Ladrière, Malcolm Carroll, (2018). All-electrical universal control of a double quantum dot qubit in silicon MOS Technical Digest – International Electron Devices Meeting, IEDM https://www.osti.gov/servlets/purl/1484946 Publication ID: 54494

Peter Schultz, Andrew Baczewski, Richard Muller, Justin Koepke, Ezra Bussmann, Robert Simonson, (2017). Understanding phosphorus donor insertion on Si(001) from PH3 dissociation in dimer windows formed by hydrogen lithography https://www.osti.gov/servlets/purl/1488743 Publication ID: 54729

Peter Schultz, Arthur Edwards, Renee Van Ginhoven, Andrew Pineda, (2017). From narrow gap to ultra-wide band gap systems: End of band gap problem excuses for defect calculations https://www.osti.gov/servlets/purl/1485048 Publication ID: 54525

Noah Jacobson, Ryan Jock, Patrick Harvey-Collard, Andrew Mounce, Vanita Srinivasa, Daniel Ward, John Anderson, Ronald Manginell, Joel Wendt, Martin Rudolph, Tammy Pluym, John Gamble, Andrew Baczewski, Wayne Witzel, Malcolm Carroll, (2017). Probing low noise at the MOS interface with a spin-orbit qubit https://www.osti.gov/servlets/purl/1465088 Publication ID: 57998

Noah Jacobson, John Gamble, Vanita Srinivasa, Andrew Baczewski, Ryan Jock, Patrick Harvey-Collard, Andrew Mounce, Martin Rudolph, Wayne Witzel, Malcolm Carroll, (2017). Theory of a silicon MOS spin-orbit singlet-triplet qubit https://www.osti.gov/servlets/purl/1465090 Publication ID: 58000

Ryan Jock, Noah Jacobson, Patrick Harvey-Collard, Andrew Mounce, Vanita Srinivasa, Daniel Ward, Ronald Manginell, Joel Wendt, Martin Rudolph, Tammy Pluym, John Gamble, Andrew Baczewski, Wayne Witzel, Malcolm Carroll, (2017). Probing low noise at the MOS interface with a Spin-Orbit Singlet-Triplet Qubit https://www.osti.gov/servlets/purl/1508714 Publication ID: 58015

Clark Kadlec, Emil Kadlec, Michael Goldflam, Edward Bielejec, Jin Kim, B.V. Olson, J. Klem, S. Hawkins, Jonathan Moussa, Peter Schultz, C.P Morath, G.D. Jenkins, V.M. Cowan, Eric Shaner, (2017). Effects of 4.5 MeV and 63 MeV Proton Irradiation on Carrier Lifetime of InAs/InAsSb Type-II Superlattices https://doi.org/10.1117/12.2274377 Publication ID: 57821

Malcolm Carroll, Patrick Harvey-Collard, Ryan Jock, Noah Jacobson, Andrew Baczewski, Andrew Mounce, Matthew Curry, Daniel Ward, John Anderson, Ronald Manginell, Joel Wendt, Martin Rudolph, Tammy Pluym, Michael Lilly, Michel Pioro-Ladriere, (2017). Implications of the spin-orbit effect for singlet-triplet qubit operation https://www.osti.gov/servlets/purl/1508937 Publication ID: 58092

Martin Rudolph, Troy England, Ryan Jock, Peter Sharma, Andrew Mounce, Noah Jacobson, Daniel Ward, Tammy Pluym, Beverly Silva, John Anderson, Joel Wendt, Michael Lilly, Malcolm Carroll, (2017). Single Shot Pauli-Blockade in Lithographically Formed Few Electron MOS Double-Quantum-Dot Using a Single Layer Design https://www.osti.gov/servlets/purl/1513632 Publication ID: 58098

Edward Bielejec, Emil Kadlec, Clark Kadlec, Michael Goldflam, Eric Shaner, Jin Kim, Jonathan Moussa, Peter Schultz, (2017). Comparing Radiation Induced Lifetime Degradation in InAs/InAsSb Type-II Superlattices using 4.5 and 63 MeV Proton Irradiations https://www.osti.gov/servlets/purl/1464086 Publication ID: 57855

Justin Koepke, David Scrymgeour, Robert Simonson, Peter Schultz, Andrew Baczewski, Richard Muller, Shashank Misra, Malcolm Carroll, (2017). Atomic-precision fabrication and metrology for epitaxial Si quantum devices https://www.osti.gov/servlets/purl/1455363 Publication ID: 56814

Troy England, Matthew Curry, Stephen Carr, Andrew Mounce, Ryan Jock, Peter Sharma, Chloe Bureau-Oxton, Martin Rudolph, Terry Hardin, Malcolm Carroll, (2017). Comparing SiGe HBT Amplifier Circuits for Fast Single-shot Spin Readout https://www.osti.gov/servlets/purl/1426622 Publication ID: 55325

Matthew Hopkins, Ezra Bussmann, Sean Smith, David Scrymgeour, Michael Brumbach, Harold Hjalmarson, Peter Schultz, Paul Clem, Christopher Moore, (2017). Vacuum Field Emission Models Measurements and Simulations https://www.osti.gov/servlets/purl/1429166 Publication ID: 55395

Andrew Mounce, Martin Rudolph, Noah Jacobson, Patrick Harvey-Collard, Joel Wendt, Tammy Pluym, Jason Dominguez, Malcolm Carroll, (2017). Magnetic field and angular dependent singlet-triplet rotations in a donor-quantum dot qubit https://www.osti.gov/servlets/purl/1426375 Publication ID: 55230

Malcolm Carroll, Matthew Curry, Andrew Mounce, Troy England, Ronald Manginell, Joel Wendt, Tammy Pluym, Stephen Carr, (2017). Mixing-Chamber Preamplifier for Spin Qubit Readout https://www.osti.gov/servlets/purl/1426391 Publication ID: 55248

Peter Schultz, (2017). The journey from forensic to predictive materials science using density functional theory Modelling and Simulation in Materials Science and Engineering https://doi.org/10.1088/1361-651X/aa8846 Publication ID: 58071

Peter Schultz, (2016). Modeling charged defects and defect levels in semiconductors and oxides with DFT: An improved inside-out perspective https://www.osti.gov/servlets/purl/1399207 Publication ID: 52707

Justin Koepke, David Scrymgeour, Robert Simonson, Michael Marshall, Daniel Ward, Richard Muller, Peter Schultz, Andrew Baczewski, Malcolm Carroll, Shashank Misra, Ezra Bussmann, (2016). Atomically Precise Single Donor Placement by STM Lithography https://www.osti.gov/servlets/purl/1395614 Publication ID: 52387

Peter Schultz, Arthur Edwards, (2016). The Defect Band Gap https://www.osti.gov/servlets/purl/1420903 Publication ID: 50755

Peter Schultz, (2016). Discriminating a deep gallium antisite defect from shallow acceptors in GaAs using supercell calculations Physical Review B https://doi.org/10.1103/PhysRevB.93.125201 Publication ID: 45585

Peter Schultz, (2016). Discriminating a deep defect from shallow acceptors in supercell calculations: Gallium antisite in GaAs https://doi.org/10.1103/PhysRevB.93.125201 Publication ID: 49050

Peter Schultz, Clark Snow, (2016). Developing mechanical properties of metal triodes for models of agig https://www.osti.gov/servlets/purl/1365673 Publication ID: 49103

Peter Schultz, Clark Snow, (2016). Mechanical properties of metal dihydrides Modelling and Simulation in Materials Science and Engineering https://doi.org/10.1088/0965-0393/24/3/035005 Publication ID: 44417

Donald Ward, Xiaowang Zhou, Norman Bartelt, Michael Foster, Peter Schultz, Bryan Wang, Kevin McCarty, (2015). Quantum mechanical studies of carbon structures https://doi.org/10.2172/1227805 Publication ID: 46044

Norman Bartelt, Keven McCarty, Michael Foster, Peter Schultz, Xiaowang Zhou, Donald Ward, (2015). Predicting growth of graphene nanostructures using high-fidelity atomistic simulations https://doi.org/10.2172/1221517 Publication ID: 45565

Christopher Moore, Harold Hjalmarson, Laura Biedermann, Kenneth Williamson, Peter Schultz, Roy Jorgenson, (2015). Development of PIC-DSMC Model for Breakdown in the Presence of a Dielectric https://www.osti.gov/servlets/purl/1256021 Publication ID: 43768

Peter Schultz, (2015). Modeling charged defects and defects levels in semiconductors and oxides with DFT: An improved inside-out perspective https://www.osti.gov/servlets/purl/1258241 Publication ID: 43477

Peter Schultz, (2015). Defect reaction network in Si-doped InAs. Numerical predictions https://doi.org/10.2172/1182682 Publication ID: 43480

Peter Schultz, Michael Foster, (2015). Adapting DFT C6-corrections for modeling graphene on metal surfaces https://www.osti.gov/servlets/purl/1331624 Publication ID: 42545

Philippe Weck, V Tikare, Peter Schultz, B Clark, J Mitchell, M Glazoff, E Homer, (2014). Documentation of Hybrid Hydride Model for Incorporation into Moose-Bison and Validation Strategy https://doi.org/10.2172/1163123 Publication ID: 39184

Aidan Thompson, Peter Schultz, Paul Crozier, Stan Moore, Laura Swiler, John Stephens, Christian Trott, Stephen Foiles, Garritt Tucker, (2014). Automated Algorithms for Quantum-Level Accuracy in Atomistic Simulations: LDRD Final Report https://doi.org/10.2172/1158668 Publication ID: 38622

Veena Tikare, Philippe Weck, Peter Schultz, Blythe Clark, (2014). Draft of M2 Report on Integration of the Hybrid Hydride Model into INL’s MBM Framework for Review https://doi.org/10.2172/1163299 Publication ID: 37802

Jonathan Moussa, Peter Schultz, (2014). Acceleration of screened-exchange density-functional calculations with approximate differential overlap https://www.osti.gov/servlets/purl/1709067 Publication ID: 40720

Peter Schultz, (2013). Defect reaction network in Si-doped InP : numerical predictions https://doi.org/10.2172/1096486 Publication ID: 36093

Kevin McCarty, Donald Ward, Michael Foster, Peter Schultz, (2013). Development of an Analytical Bond Order Potential for C-H-Cu Systems https://www.osti.gov/servlets/purl/1115007 Publication ID: 35217

Peter Schultz, (2013). Interface effects on total energy calculations for radiation-induced defects IEEE Transactions on Nuclear Science https://www.osti.gov/biblio/1106590 Publication ID: 34771

Peter Schultz, (2013). Off-center Tl and Na dopant centers in CsI Journal of Physics: Condensed Matter https://www.osti.gov/biblio/1083687 Publication ID: 34079

Peter Schultz, (2013). MOdeling charged defects inside density functional theory band gaps: An improved inside-out perspective https://www.osti.gov/servlets/purl/1079642 Publication ID: 33611

Aidan Thompson, Peter Schultz, Laura Swiler, Christian Trott, Garritt Tucker, Stephen Foiles, (2013). Automated generation of quantum-accurate classical interatomic potentials for metals and semiconductors https://www.osti.gov/biblio/1069031 Publication ID: 32541

Peter Schultz, (2013). Simple intrinsic defects in InAs : https://doi.org/10.2172/1095951 Publication ID: 32720

Peter Schultz, (2012). Defect and Dopant Properties in CsI and NaI https://www.osti.gov/servlets/purl/1116144 Publication ID: 26204

Peter Schultz, (2012). First-principles defect chemistry in C-doped GaAs https://www.osti.gov/biblio/1063559 Publication ID: 26226

Jonathan Moussa, Stephen Foiles, Peter Schultz, (2012). Simulation and modeling of the electronic structure of GaAs damage clusters Proposed for publication in Journal of Applied Physics. https://www.osti.gov/biblio/1062253 Publication ID: 30814

Richard Muller, Randall Cygan, Jie Deng, Amalie Frischknecht, John Hewson, Harry Moffat, Craig Tenney, Peter Schultz, (2012). Modeling thermal abuse in transportation batteries https://doi.org/10.2172/1055648 Publication ID: 30086

Peter Schultz, (2012). Defect reaction network in C-doped GaAs : numerical predictions https://doi.org/10.2172/1059471 Publication ID: 29505

Peter Schultz, (2012). Defect reaction network in Si-doped GaAs : numerical predictions https://doi.org/10.2172/1051706 Publication ID: 29552

Peter Schultz, Jonathan Moussa, (2012). Numerical integration of an electron exchange hole with a screened Coulomb interaction Proposed for publication in Computer Physics Communications. https://www.osti.gov/biblio/1061167 Publication ID: 29638

Clark Snow, Mark Rodriguez, Ryan Wixom, Peter Schultz, Donald Cowgill, Paul Kotula, (2012). Effects of 3He in ErT2 and Pd https://www.osti.gov/servlets/purl/1117293 Publication ID: 28133

Peter Schultz, (2012). Simple intrinsic defects in GaAs : numerical supplement https://doi.org/10.2172/1039410 Publication ID: 27468

Peter Schultz, (2012). Simple intrinsic defects in InP : numerical predictions https://doi.org/10.2172/1051733 Publication ID: 27797

Peter Schultz, (2012). Simple intrinsic defects in GaP : numerical predictions https://doi.org/10.2172/1051731 Publication ID: 27798

Peter Schultz, (2012). First principles predictions of intrinsic defects in aluminum arsenide, AlAs : numerical supplement https://doi.org/10.2172/1039396 Publication ID: 27596

Peter Schultz, (2012). Charge trap distributions and correlated atomic relaxations in amorphous silica Proposed for publication in Applied Physics Letters. https://www.osti.gov/biblio/1069058 Publication ID: 26120

Richard Muller, Amalie Frischknecht, Peter Schultz, Jie Deng, Harry Moffat, (2012). Battery Abuse Modeling https://www.osti.gov/servlets/purl/1657451 Publication ID: 26121

Ryan Wixom, Mark Rodriguez, Peter Schultz, Donald Cowgill, (2012). Effects of 3He in ErT2 https://www.osti.gov/servlets/purl/1078698 Publication ID: 26927

Peter Schultz, (2012). Retrofit of the HSE density functional https://www.osti.gov/servlets/purl/1078708 Publication ID: 26794

Peter Schultz, (2012). Simple intrinsic defects in GaP and InP https://www.osti.gov/servlets/purl/1145270 Publication ID: 26855

Peter Schultz, (2011). First principles predictions of intrinsic defects in aluminum arsenide, AlAs Materials Research Society Symposium Proceedings https://www.osti.gov/servlets/purl/1108384 Publication ID: 22306

Peter Schultz, (2011). Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC) https://doi.org/10.2172/1034882 Publication ID: 25651

Peter Schultz, (2011). Predicting radiation defect chemistry in III-V https://www.osti.gov/servlets/purl/1661498 Publication ID: 25264

Peter Schultz, (2011). Progress toward bridging from atomistic to continuum modeling to predict nuclear waste glass dissolution https://doi.org/10.2172/1030400 Publication ID: 25189

Peter Schultz, (2011). FIRST-PRINCIPLES DEFECT CHEMISTRY FOR MODELING IRRADIATED GaAs AND III-V SEMICONDUCTOR DEVICES JOURNAL OF RADIATION EFFECTS, RESEARCH AND ENGINEERING https://www.osti.gov/biblio/1107718 Publication ID: 23150

Peter Schultz, (2011). First Principles Defect Chemistry for Modeling Irradiated GaAs and III-V’s https://www.osti.gov/servlets/purl/1108804 Publication ID: 21981

Geoffrey Freeze, J. Arguello, Julie Bouchard, Louise Criscenti, Thomas Dewers, Harold Edwards, David Sassani, Peter Schultz, Yifeng Wang, (2011). Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration https://doi.org/10.2172/1011208 Publication ID: 21585

Louise Criscenti, Peter Schultz, (2011). Overview of Upscaling from Atomistic to Continuum Models for Nuclear Waste Glass Dissolution and Making Models of Multicomponent Glass https://www.osti.gov/servlets/purl/1120892 Publication ID: 21370

Harold Edwards, J. Arguello, Roscoe Bartlett, Julie Bouchard, Geoffrey Freeze, Patrick Knupp, Peter Schultz, Angel Urbina, Yifeng Wang, (2011). Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC) verification and validation plan. version 1 https://doi.org/10.2172/1028943 Publication ID: 21225

Peter Schultz, (2010). Radiation defect chemistry in GaAs and III-V’s https://www.osti.gov/servlets/purl/1673933 Publication ID: 20764

Peter Schultz, Louise Criscenti, David Sassani, (2010). NEAMS Waste IPSC – Subcontinuum modeling for waste forms https://www.osti.gov/servlets/purl/1675130 Publication ID: 20362

Richard Muller, Peter Schultz, Randall Cygan, Amalie Frischknecht, Richard Larson, Michael Kanouff, John Hewson, Harry Moffat, (2010). Modeling thermal abuse of Li ion transportation batteries https://www.osti.gov/biblio/1027028 Publication ID: 20147

J. Arguello, Jerry McNeish, Peter Schultz, Yifeng Wang, (2010). Challenge problem and milestones for : Nuclear Energy Advanced Modeling and Simulation (NEAMS) waste Integrated Performance and Safety Codes (IPSC) https://doi.org/10.2172/1011222 Publication ID: 20323

Peter Schultz, (2010). First principles investigation of low energy E’ precursors in amorphous silica Physical Review Letters https://www.osti.gov/biblio/1123413 Publication ID: 18815

Clark Snow, Peter Schultz, T. Mattsson, Kevin Zavadil, Michael Brumbach, (2010). A hearty hodge podge of ErT2 research : a bit of this and a bit of that https://www.osti.gov/biblio/1012457 Publication ID: 18144

Harold Edwards, Geoffrey Freeze, Peter Schultz, J. Arguello, Roscoe Bartlett, Yifeng Wang, (2009). Waste Forms and Systems Integrated Performance and Safety Codes System Design Specification https://www.osti.gov/servlets/purl/1695616 Publication ID: 16814

Clark Snow, Ryan Wixom, Peter Schultz, (2009). First principles site occupation and migration of helium in Beta-phase erbium hydride https://www.osti.gov/servlets/purl/1141899 Publication ID: 16371

Peter Schultz, (2008). Response to Comment on ‘Theory of Defect Levels and the %22Band Gap Problem%22 in SIlicon’ Physical Review Letters https://www.osti.gov/biblio/1142844 Publication ID: 14159

Clark Snow, Peter Schultz, (2008). First principles site occupation and migration of hydrogen helium and oxygen beta-phase erbium hydride Journal of Applied Physics https://doi.org/10.1063/1.2940134 Publication ID: 12561

Peter Schultz, (2007). Beyond Black Boxes – Moving From Science to Engineering https://www.osti.gov/servlets/purl/1719095 Publication ID: 11898

Peter Schultz, (2007). Roles of Oxygen in Crystalline GST and at the GST/TiAlN INterface https://www.osti.gov/servlets/purl/1146518 Publication ID: 11842

Otto von Lilienfeld-Toal, Peter Schultz, (2007). Structure and band gaps of Ga-(V) semiconductors: The challenge of pseudopotentials Physical Review B https://www.osti.gov/biblio/1146636 Publication ID: 11287

Peter Schultz, (2007). Is the density functional theory band gap problem truly a problem? – Defects in silicon https://www.osti.gov/servlets/purl/1721371 Publication ID: 11231

Peter Schultz, (2007). Reactivities of Ultrathin Alumina Films Exposed to Intermediate Pressures of H2O: Substrate-Mediated Mechanism for Growth and Loss of Surface Order Surface Science https://www.osti.gov/biblio/1147850 Publication ID: 9784

Renee Van Ginhoven, Peter Schultz, Normand Modine, (2006). Electrical Effects from Transient Neutron Irradiation of Silicon Devices https://www.osti.gov/servlets/purl/1264226 Publication ID: 7730

Yong Kim, Jamil Tahir-Kheli, Peter Schultz, William Goddard, (2006). First-principles approach to the charge-transport characteristics of monolayer molecular-electronics devices: Application to hexanedithiolate devices Physical Review B – Condensed Matter and Materials Physics https://www.osti.gov/biblio/951714 Publication ID: 6868

Arthur Edwards, Andrew Pineda, Peter Schultz, Marcus Martin, Aidan Thompson, Harold Hjalmarson, Cyrus Umrigar, (2006). Electronic structure of intrinsic defects in crystalline germanium telluride Physical Review B – Condensed Matter and Materials Physics https://www.osti.gov/biblio/970695 Publication ID: 5217

Susan Rempe, Peter Schultz, Michael Chandross, (2005). Density functional theory study of transition metal porphine adsorption on gold surface and electric field induced conformation changes Proposed for publication in the Journal of the American Chemical Society. https://www.osti.gov/biblio/970708 Publication ID: 5641

Peter Schultz, (2005). Quantum DFT and multiscale simulations https://www.osti.gov/biblio/969120 Publication ID: 5591

Peter Schultz, (2005). Density functional theory study of the geometry, energetics and reconstruction process of Si(111) surfaces Journal of Physical Chemistry B https://doi.org/10.1021/la052029s Publication ID: 5216

Peter Schultz, (2005). Supercell issues in density functional calculations https://www.osti.gov/biblio/969545 Publication ID: 5014

Dwight Jennison, Peter Schultz, (2005). First principles (Density Functional Theory) calculations on ErT2(111) He bubble surfaces https://www.osti.gov/biblio/969877 Publication ID: 5035

Harold Hjalmarson, Peter Schultz, (2004). Current understanding of the oxygen vacancy in SiO2 and its role in radiation effects in the MOS system https://www.osti.gov/biblio/957228 Publication ID: 3087

Harold Hjalmarson, Arthur Edwards, Peter Schultz, Harold Hjalmarson, (2003). Spontaneous ionization of hydrogen atoms at the Si-SiO2 interface Proposed for publication in Physical Review B. https://www.osti.gov/biblio/990012 Publication ID: 2327

Dwight Jennison, Dwight Jennison, Peter Schultz, Donald King, Kevin Zavadil, (2003). BaO/W(100) thermionic emitters and the effects of Sc, Y, La, and the density functional used in computations Proposed for publication in Surface Science Letters. https://www.osti.gov/biblio/993919 Publication ID: 2352

Dwight Jennison, Dwight Jennison, Peter Schultz, John Sullivan, (2003). Evidence for interstitial hydrogen as the dominant electronic defect in nanometer alumina films Proposed for publication in Physical Review B – Rapid Communications, May 2003. https://www.osti.gov/biblio/924938 Publication ID: 2215

Peter Schultz, Jeffrey Nelson, (2001). Fast through-bond diffusion of nitrogen in silicon Applied Physics Letters https://www.osti.gov/servlets/purl/759884 Publication ID: 653

Harold Hjalmarson, Steven Witczak, Peter Schultz, Duane Bowman, (2000). A Mechanism for Enhanced Low-Dose-Rate Sensitivity of Bipolar Transistors IEEE Transactions on Nuclear Science https://www.osti.gov/servlets/purl/764044 Publication ID: 896

Ross Lippert, Peter Schultz, (2000). Unconstrained and Constrained Minimization, Linear Scaling, and the Grassmann Manifold: Theory and Applications Physical Review B https://www.osti.gov/servlets/purl/759995 Publication ID: 739

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