Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces
Abstract
Here, we investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and (11$$\bar{2}$$0) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T*m(x) ≤ 0.90], where T*m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar (11$$\bar{2}$$0) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. Finally, while the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.
- Authors:
-
- Sandia National Lab. (SNL-CA), Livermore, CA (United States). Dept. of Mechanics of Materials; Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering
- Sandia National Lab. (SNL-CA), Livermore, CA (United States). Dept. of Mechanics of Materials
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Advanced Materials Sciences
- Drexel Univ., Philadelphia, PA (United States). Dept. of Materials Science and Engineering
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1361644
- Report Number(s):
- SAND-2017-0676J
Journal ID: ISSN 0021-8979; 650624
- Grant/Contract Number:
- AC04-94AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 19; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS; III-V semiconductors; Epitaxy; Crystal defects; Thin film growth; Indium
Citation Formats
Gruber, J., Zhou, X. W., Jones, R. E., Lee, S. R., and Tucker, G. J. Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces. United States: N. p., 2017.
Web. doi:10.1063/1.4983066.
Gruber, J., Zhou, X. W., Jones, R. E., Lee, S. R., & Tucker, G. J. Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces. United States. https://doi.org/10.1063/1.4983066
Gruber, J., Zhou, X. W., Jones, R. E., Lee, S. R., and Tucker, G. J. Mon .
"Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces". United States. https://doi.org/10.1063/1.4983066. https://www.osti.gov/servlets/purl/1361644.
@article{osti_1361644,
title = {Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces},
author = {Gruber, J. and Zhou, X. W. and Jones, R. E. and Lee, S. R. and Tucker, G. J.},
abstractNote = {Here, we investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and (11$\bar{2}$0) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T*m(x) ≤ 0.90], where T*m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar (11$\bar{2}$0) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. Finally, while the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.},
doi = {10.1063/1.4983066},
journal = {Journal of Applied Physics},
number = 19,
volume = 121,
place = {United States},
year = {Mon May 15 00:00:00 EDT 2017},
month = {Mon May 15 00:00:00 EDT 2017}
}
Web of Science
Works referenced in this record:
On the interpretation of structural and light emitting properties of InGaN/GaN epitaxial layers grown above and below the critical layer thickness
journal, September 2006
- Pereira, S.
- Thin Solid Films, Vol. 515, Issue 1
From atomic structure to photovoltaic properties in CdTe solar cells
journal, November 2013
- Li, Chen; Poplawsky, Jonathan; Wu, Yelong
- Ultramicroscopy, Vol. 134
Atomistic simulations of the vapor deposition of Ni/Cu/Ni multilayers: The effects of adatom incident energy
journal, August 1998
- Zhou, X. W.; Wadley, H. N. G.
- Journal of Applied Physics, Vol. 84, Issue 4
In-plane tensile-strained interfacial structure in a GaN nucleation layer on sapphire(0001)
journal, September 2001
- Kim, C. C.; Je, J. H.; Yi, M. S.
- Journal of Applied Physics, Vol. 90, Issue 5
Adatom Kinetics On and Below the Surface: The Existence of a New Diffusion Channel
journal, February 2003
- Neugebauer, Jörg; Zywietz, Tosja K.; Scheffler, Matthias
- Physical Review Letters, Vol. 90, Issue 5
Molecular dynamics simulations of atomic assembly in the process of GaN film growth
journal, November 2009
- Chen, Zhihui; Yu, Zhongyuan; Lu, Pengfei
- Physica B: Condensed Matter, Vol. 404, Issue 21
Dislocation generation in GaN heteroepitaxy
journal, June 1998
- Wu, X. H.; Fini, P.; Tarsa, E. J.
- Journal of Crystal Growth, Vol. 189-190
The atomic and electronic structure of dislocations in Ga-based nitride semiconductors
journal, May 2006
- Belabbas, I.; Ruterana, P.; Chen, J.
- Philosophical Magazine, Vol. 86, Issue 15
Molecular Dynamics Simulations of CdTe / CdS Heteroepitaxy - Effect of Substrate Orientation
journal, April 2016
- J. Chavez, Jose; W. Zhou, Xiao; F. Almeida, Sergio
- Journal of Materials Science Research, Vol. 5, Issue 3
Structural and optical investigation of InGaN/GaN multiple quantum well structures with various indium compositions
journal, October 2001
- Cho, Hyung Koun; Lee, Jeong Yong; Kim, Chi Sun
- Journal of Electronic Materials, Vol. 30, Issue 10
Critical thickness calculations for InGaN/GaN
journal, May 2007
- Holec, D.; Costa, P. M. F. J.; Kappers, M. J.
- Journal of Crystal Growth, Vol. 303, Issue 1
Temperature dependence of the thermal expansion of GaN
journal, August 2005
- Roder, C.; Einfeldt, S.; Figge, S.
- Physical Review B, Vol. 72, Issue 8
Status and Future of High-Power Light-Emitting Diodes for Solid-State Lighting
journal, June 2007
- Krames, Michael R.; Shchekin, Oleg B.; Mueller-Mach, Regina
- Journal of Display Technology, Vol. 3, Issue 2, p. 160-175
Defect-reduced green GaInN/GaN light-emitting diode on nanopatterned sapphire
journal, April 2011
- Detchprohm, T.; Taniguchi, Y.; Tamura, N.
- Applied Physics Letters, Vol. 98, Issue 15
Polytypes in GaN films grown by metalorganic chemical vapor deposition on (0001) sapphire substrate
journal, August 1998
- Joo Lee, Hwack; Ryu, Hyun; Lee, Cheul-Ro
- Journal of Crystal Growth, Vol. 191, Issue 4
A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
journal, April 2006
- Tuckerman, Mark E.; Alejandre, José; López-Rendón, Roberto
- Journal of Physics A: Mathematical and General, Vol. 39, Issue 19
Design and characteristics of staggered InGaN quantum-well light-emitting diodes in the green spectral regime
journal, December 2009
- Zhao, H. P.; Dierolf, V.; Liu, G. Y.
- IET Optoelectronics, Vol. 3, Issue 6
InGaN heterostructures grown by molecular beam epitaxy:
journal, July 2001
- Damilano, B.; Grandjean, N.; Vézian, S.
- Journal of Crystal Growth, Vol. 227-228
Solid-state lighting: lamps, chips, and materials for tomorrow
journal, May 2004
- Tsao, J. Y.
- IEEE Circuits and Devices Magazine, Vol. 20, Issue 3, p. 28-37
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Metalorganic Vapor Phase Epitaxy of III-Nitride Light-Emitting Diodes on Nanopatterned AGOG Sapphire Substrate by Abbreviated Growth Mode
journal, July 2009
- Yik-Khoon Ee, ; Biser, J. M.; Cao, W.
- IEEE Journal of Selected Topics in Quantum Electronics, Vol. 15, Issue 4
Global transition path search for dislocation formation in Ge on Si(001)
journal, August 2016
- Maras, E.; Trushin, O.; Stukowski, A.
- Computer Physics Communications, Vol. 205
Polytypism in epitaxially grown gallium nitride
journal, January 2000
- Selke, H.; Kirchner, V.; Heinke, H.
- Journal of Crystal Growth, Vol. 208, Issue 1-4
The Promise and Challenge of Solid-State Lighting
journal, December 2001
- Bergh, Arpad; Craford, George; Duggal, Anil
- Physics Today, Vol. 54, Issue 12
Complete composition tunability of InGaN nanowires using a combinatorial approach
journal, October 2007
- Kuykendall, Tevye; Ulrich, Philipp; Aloni, Shaul
- Nature Materials, Vol. 6, Issue 12
Solid-State Lighting: Toward Superior Illumination
journal, October 2005
- Shur, M. S.; Zukauskas, R.
- Proceedings of the IEEE, Vol. 93, Issue 10
Investigation of GaN Solution Growth Processes on Ga- and N-Faces by Molecular Dynamics Simulation
journal, January 2012
- Kawamura, Takahiro; Kangawa, Yoshihiro; Kakimoto, Koichi
- Japanese Journal of Applied Physics, Vol. 51, Issue 1S
Roles of V/III ratio and mixture degree in GaN growth: CFD and MD simulation study
journal, January 2013
- Zhou, An; Xiu, Xiang-Qian; Zhang, Rong
- Chinese Physics B, Vol. 22, Issue 1
Generation of misfit dislocations by basal-plane slip in InGaN∕GaN heterostructures
journal, November 2006
- Liu, R.; Mei, J.; Srinivasan, S.
- Applied Physics Letters, Vol. 89, Issue 20
Atomic assembly during GaN film growth: Molecular dynamics simulations
journal, January 2006
- Zhou, X. W.; Murdick, D. A.; Gillespie, B.
- Physical Review B, Vol. 73, Issue 4
Basal plane misfit dislocations and stress relaxation in III-nitride semipolar heteroepitaxy
journal, May 2011
- Romanov, Alexey E.; Young, Erin C.; Wu, Feng
- Journal of Applied Physics, Vol. 109, Issue 10
Microstructure analysis in strained-InGaN/GaN multiple quantum wells
journal, February 2009
- Lei, Huaping; Chen, Jun; Jiang, Xunya
- Microelectronics Journal, Vol. 40, Issue 2
Computer simulation of local order in condensed phases of silicon
journal, April 1985
- Stillinger, Frank H.; Weber, Thomas A.
- Physical Review B, Vol. 31, Issue 8
Molecular dynamics simulations of substitutional diffusion
journal, February 2017
- Zhou, X. W.; Jones, R. E.; Gruber, J.
- Computational Materials Science, Vol. 128
Atomic scale structure of sputtered metal multilayers
journal, November 2001
- Zhou, X. W.; Wadley, H. N. G.; Johnson, R. A.
- Acta Materialia, Vol. 49, Issue 19
Strain relaxation due to V-pit formation in InxGa1−xN∕GaN epilayers grown on sapphire
journal, October 2005
- Song, T. L.
- Journal of Applied Physics, Vol. 98, Issue 8
Quantum shift of band-edge stimulated emission in InGaN–GaN multiple quantum well light-emitting diodes
journal, June 1997
- Sun, C. J.; Zubair Anwar, M.; Chen, Q.
- Applied Physics Letters, Vol. 70, Issue 22
Control of GaN surface morphologies using plasma-assisted molecular beam epitaxy
journal, August 2000
- Heying, B.; Averbeck, R.; Chen, L. F.
- Journal of Applied Physics, Vol. 88, Issue 4
Superlattice-like stacking fault and phase separation of InxGa1−xN grown on sapphire substrate by metalorganic chemical vapor deposition
journal, July 2000
- Cho, H. K.; Lee, J. Y.; Kim, K. S.
- Applied Physics Letters, Vol. 77, Issue 2
Gallium nitride epitaxy on (0001) sapphire
journal, March 2002
- Narayanan, V.; Lorenz, K.; Kim, Wook
- Philosophical Magazine A, Vol. 82, Issue 5
Hexagonal-based pyramid void defects in GaN and InGaN
journal, January 2012
- Yankovich, A. B.; Kvit, A. V.; Li, X.
- Journal of Applied Physics, Vol. 111, Issue 2
Dynamically stable gallium surface coverages during plasma-assisted molecular-beam epitaxy of (0001) GaN
journal, January 2002
- Adelmann, C.; Brault, J.; Jalabert, D.
- Journal of Applied Physics, Vol. 91, Issue 12
Morphological, structural, and emission characterization of trench defects in InGaN/GaN quantum well structures
journal, November 2012
- Massabuau, F. C. -P.; Sahonta, S. -L.; Trinh-Xuan, L.
- Applied Physics Letters, Vol. 101, Issue 21
Various misfit dislocations in green and yellow GaInN/GaN light emitting diodes
journal, May 2010
- Zhu, Mingwei; You, Shi; Detchprohm, Theeradetch
- physica status solidi (a), Vol. 207, Issue 6
Investigation of Thermal Annealing Process of GaN Layer on Sapphire by Molecular Dynamics
journal, July 2000
- Onozu, Takayuki; Miura, Ryuji; Takami, Seiichi
- Japanese Journal of Applied Physics, Vol. 39, Issue Part 1, No. 7B
Stillinger–Weber parameters for In and N atoms
journal, October 2006
- Lei, H. P.; Chen, J.; Petit, S.
- Superlattices and Microstructures, Vol. 40, Issue 4-6
Atomic-scale modeling of InxGa1−xN quantum dot self-assembly
journal, May 2011
- Zhang, Zhenli; Chatterjee, Alok; Grein, Christoph
- Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena, Vol. 29, Issue 3
Open‐core screw dislocations in GaN epilayers observed by scanning force microscopy and high‐resolution transmission electron microscopy
journal, October 1995
- Qian, W.; Rohrer, G. S.; Skowronski, M.
- Applied Physics Letters, Vol. 67, Issue 16
Molecular beam epitaxy growth of GaN under Ga-rich conditions investigated by molecular dynamics simulation
journal, April 2014
- Kawamura, Takahiro; Hayashi, Hiroya; Miki, Takafumi
- Japanese Journal of Applied Physics, Vol. 53, Issue 5S1
Nanoscale Imaging of InN Segregation and Polymorphism in Single Vertically Aligned InGaN/GaN Multi Quantum Well Nanorods by Tip-Enhanced Raman Scattering
journal, June 2013
- Poliani, E.; Wagner, M. R.; Reparaz, J. S.
- Nano Letters, Vol. 13, Issue 7
Spiral Growth of InGaN Nanoscale Islands on GaN
journal, April 1998
- Keller, Stacia; Mishra, Umesh K.; Denbaars, Steven P.
- Japanese Journal of Applied Physics, Vol. 37, Issue Part 2, No. 4B
Approaches for high internal quantum efficiency green InGaN light-emitting diodes with large overlap quantum wells
journal, January 2011
- Zhao, Hongping; Liu, Guangyu; Zhang, Jing
- Optics Express, Vol. 19, Issue S4
When group-III nitrides go infrared: New properties and perspectives
journal, July 2009
- Wu, Junqiao
- Journal of Applied Physics, Vol. 106, Issue 1
Role of threading dislocation structure on the x‐ray diffraction peak widths in epitaxial GaN films
journal, January 1996
- Heying, B.; Wu, X. H.; Keller, S.
- Applied Physics Letters, Vol. 68, Issue 5
Atomic-scale behavior of adatoms in axial and radial growth of GaN nanowires: Molecular dynamics simulations
journal, July 2014
- Gong, Xiaojing; Dogan, Pinar; Zhang, Xiaoliang
- Japanese Journal of Applied Physics, Vol. 53, Issue 8
In situ investigation of growth modes during plasma-assisted molecular beam epitaxy of (0001) GaN
journal, October 2007
- Koblmüller, G.; Fernández-Garrido, S.; Calleja, E.
- Applied Physics Letters, Vol. 91, Issue 16
Relaxation of InGaN thin layers observed by X-ray and transmission electron microscopy studies
journal, April 2001
- Liliental-Weber, Z.; Benamara, M.; Washburn, J.
- Journal of Electronic Materials, Vol. 30, Issue 4
Automated identification and indexing of dislocations in crystal interfaces
journal, October 2012
- Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios
- Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 8
Growth behavior of GaN film along non-polar [11–20] directions
journal, January 2011
- Gong, Xiaojing; Xu, Ke; Wang, Jianfeng
- Physica B: Condensed Matter, Vol. 406, Issue 1
Structural origin of V-defects and correlation with localized excitonic centers in InGaN/GaN multiple quantum wells
journal, February 1998
- Wu, X. H.; Elsass, C. R.; Abare, A.
- Applied Physics Letters, Vol. 72, Issue 6
Strain influenced indium composition distribution in GaN/InGaN core-shell nanowires
journal, November 2010
- Li, Qiming; Wang, George T.
- Applied Physics Letters, Vol. 97, Issue 18
III-nitride core–shell nanowire arrayed solar cells
journal, April 2012
- Wierer Jr, Jonathan J.; Li, Qiming; Koleske, Daniel D.
- Nanotechnology, Vol. 23, Issue 19
Congruent melting of gallium nitride at 6 GPa and its application to single-crystal growth
journal, October 2003
- Utsumi, Wataru; Saitoh, Hiroyuki; Kaneko, Hiroshi
- Nature Materials, Vol. 2, Issue 11
Growth modes in heteroepitaxy of InGaN on GaN
journal, January 2005
- Oliver, Rachel A.; Kappers, Menno J.; Humphreys, Colin J.
- Journal of Applied Physics, Vol. 97, Issue 1
Green light emission from InGaN multiple quantum wells grown on GaN pyramidal stripes using selective area epitaxy
journal, November 2008
- Feng, W.; Kuryatkov, V. V.; Chandolu, A.
- Journal of Applied Physics, Vol. 104, Issue 10
Generation and behavior of pure-edge threading misfit dislocations in InxGa1−xN∕GaN multiple quantum wells
journal, November 2004
- Lü, W.; Li, D. B.; Li, C. R.
- Journal of Applied Physics, Vol. 96, Issue 9
Canonical dynamics: Equilibrium phase-space distributions
journal, March 1985
- Hoover, William G.
- Physical Review A, Vol. 31, Issue 3
Effect of dislocations on electrical and electron transport properties of InN thin films. I. Strain relief and formation of a dislocation network
journal, November 2006
- Lebedev, V.; Cimalla, V.; Pezoldt, J.
- Journal of Applied Physics, Vol. 100, Issue 9
High dislocation densities in high efficiency GaN‐based light‐emitting diodes
journal, March 1995
- Lester, S. D.; Ponce, F. A.; Craford, M. G.
- Applied Physics Letters, Vol. 66, Issue 10
Zinc-blende–wurtzite polytypism in semiconductors
journal, October 1992
- Yeh, Chin-Yu; Lu, Z. W.; Froyen, S.
- Physical Review B, Vol. 46, Issue 16
Strain Dependence of Formation Mechanism of Growth Layer in Molecular Beam Epitaxy of Gallium Nitride
journal, November 2010
- Kobayashi, Yasunori; Doi, Yusuke; Nakatani, Akihiro
- Japanese Journal of Applied Physics, Vol. 49, Issue 11
Rapid estimation of elastic constants by molecular dynamics simulation under constant stress
journal, April 2004
- Shinoda, Wataru; Shiga, Motoyuki; Mikami, Masuhiro
- Physical Review B, Vol. 69, Issue 13
Suppressing void defects in long wavelength semipolar (202¯1¯) InGaN quantum wells by growth rate optimization
journal, March 2013
- Zhao, Yuji; Wu, Feng; Huang, Chia-Yen
- Applied Physics Letters, Vol. 102, Issue 9
Nucleation layer evolution in metal‐organic chemical vapor deposition grown GaN
journal, March 1996
- Wu, X. H.; Kapolnek, D.; Tarsa, E. J.
- Applied Physics Letters, Vol. 68, Issue 10
Influence of apparatus geometry and deposition conditions on the structure and topography of thick sputtered coatings
journal, July 1974
- Thornton, John A.
- Journal of Vacuum Science and Technology, Vol. 11, Issue 4
Illumination with solid state lighting technology
journal, January 2002
- Steigerwald, D. A.; Bhat, J. C.; Collins, D.
- IEEE Journal of Selected Topics in Quantum Electronics, Vol. 8, Issue 2
Research challenges to ultra-efficient inorganic solid-state lighting
journal, December 2007
- Phillips, J. M.; Coltrin, M. E.; Crawford, M. H.
- Laser & Photonics Review, Vol. 1, Issue 4, p. 307-333
Computational Chemistry Study on Crystal Growth of InGaN/GaN
journal, April 2001
- Inaba, Yusaku; Onozu, Takayuki; Takami, Seiichi
- Japanese Journal of Applied Physics, Vol. 40, Issue Part 1, No. 4B
Slip systems and misfit dislocations in InGaN epilayers
journal, December 2003
- Srinivasan, S.; Geng, L.; Liu, R.
- Applied Physics Letters, Vol. 83, Issue 25
Thermal stability of indium nitride at elevated temperatures and nitrogen pressures
journal, September 1970
- MacChesney, J. B.; Bridenbaugh, P. M.; O'Connor, P. B.
- Materials Research Bulletin, Vol. 5, Issue 9
Extracting dislocations and non-dislocation crystal defects from atomistic simulation data
journal, September 2010
- Stukowski, Alexander; Albe, Karsten
- Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 8
Solid-state lighting—a benevolent technology
journal, November 2006
- Schubert, E. Fred; Kim, Jong Kyu; Luo, Hong
- Reports on Progress in Physics, Vol. 69, Issue 12
Rapid Delineation of Extended Defects in GaN and a Novel Method for Their Reduction
journal, March 2002
- Visconti, P.; Huang, D.; Yun, F.
- physica status solidi (a), Vol. 190, Issue 1
Works referencing / citing this record:
Critical fracture properties of puckered and buckled arsenenes by molecular dynamics simulations
journal, January 2019
- Yang, Bo; Li, Maodong; Wang, Jiye
- Physical Chemistry Chemical Physics, Vol. 21, Issue 23
Effects of thickness ratio of InGaN to GaN in superlattice strain relief layer on the optoelectrical properties of InGaN-based green LEDs grown on Si substrates
journal, August 2017
- Qi, Weijing; Zhang, Jianli; Mo, Chunlan
- Journal of Applied Physics, Vol. 122, Issue 8
Predictive modeling of misfit dislocation induced strain relaxation effect on self-rolling of strain-engineered nanomembranes
journal, September 2018
- Chen, Cheng; Song, Pengfei; Meng, Fanchao
- Applied Physics Letters, Vol. 113, Issue 11
Vacancy-assisted core transformation and mobility modulation of a-type edge dislocations in wurtzite GaN
journal, September 2019
- Chen, Cheng; Meng, Fanchao; Chen, Huicong
- Journal of Physics D: Applied Physics, Vol. 52, Issue 49
Effect of indium doping on motions of 〈 a 〉-prismatic edge dislocations in wurtzite gallium nitride
journal, May 2019
- Chen, Cheng; Meng, Fanchao; Ou, Pengfei
- Journal of Physics: Condensed Matter, Vol. 31, Issue 31
Impact of Molecular Dynamics Simulations on Research and Development of Semiconductor Materials
journal, January 2019
- Zhou, Xiaowang
- MRS Advances, Vol. 4, Issue 61-62
A multiscale study of misfit dislocations in PbTe/PbSe(001) heteroepitaxy
journal, April 2019
- Li, Yang; Fan, Zhaochuan; Li, Weixuan
- Journal of Materials Research, Vol. 34, Issue 13