Hybrid density functional theory studies of AlN and GaN under uniaxial strain

Journal of Physics Condensed Matter

Volumn 25, Issue 4, 2013, Pages

  Qin, Lixia ^a   Duan, Yifeng ^a   Shi, Hongliang ^b   Shi, Liwei ^a   Tang, Gang ^a  

^a CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ALN; ATOMIC DISPLACEMENT; COMPRESSIVE STRAIN; ELASTIC INSTABILITIES; EXTERNAL STRAINS; FERROELECTRIC FIELDS; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID FUNCTIONALS; PIEZOELECTRIC RESPONSE; SOFT-PHONON MODE; SPONTANEOUS POLARIZATIONS; STRUCTURAL STABILITIES; STRUCTURAL TRANSITIONS; UNI-AXIAL STRAINS; WURTZITE GAN; WURTZITE SEMICONDUCTORS; WURTZITES;

CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; GALLIUM NITRIDE; GRAPHITE; PIEZOELECTRIC DEVICES; PIEZOELECTRICITY; POLARIZATION; STABILITY; ZINC SULFIDE;

TENSILE STRAIN;

ALUMINUM DERIVATIVE; ALUMINUM NITRIDE; GALLIUM; GALLIUM NITRIDE; GRAPHITE;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; MATERIALS TESTING; MECHANICAL STRESS; METHODOLOGY; PHYSICS; SEMICONDUCTOR; STATISTICAL MODEL; TENSILE STRENGTH;

ALUMINUM COMPOUNDS; COMPUTER SIMULATION; GALLIUM; GRAPHITE; MATERIALS TESTING; MODELS, STATISTICAL; MOLECULAR CONFORMATION; PHYSICS; SEMICONDUCTORS; SOFTWARE; STRESS, MECHANICAL; TENSILE STRENGTH;

MLCS; MLOWN;

EID: 84872067684     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/4/045801     Document Type: Article

References (46)

1. Vurgaftman I and Meyer J R 2003 J. Appl. Phys. 94 3675
2. Wu J 2009 J. Appl. Phys. 106 011101
3. Duan Y, Li J, Li S S and Xia J B 2008 J. Appl. Phys. 103 023705 (Pubitemid 351190702)
4. Wang Z, Tait K, Zhao T, Schiferl D, Zha C, Uchida H and Downs R T 2004 J. Phys. Chem. B 108 11506
5. Duan Y, Qin L, Tang G and Shi L 2008 Eur. J. Phys. B 66 201
6. Limpijumnong S and Lambrecht W R L 2001 Phys. Rev. Lett. 86 91 (Pubitemid 32131740)
7. Limpijumnong S and Jungthawan S 2004 Phys. Rev. B 70 054104
8. Limpijumnong S and Lambrecht W R L 2001 Phys. Rev. B 63 104103
9. Zhang J, Zhang L, Cui T, Li Y, He Z, Ma Y and Zou G 2007 Phys. Rev. B 75 104115
10. Li Y, Zhang L, Cui T, Li Y, Ma Y, He Z and Zou G 2007 J. Phys.: Condens. Matter 19 425217 (Pubitemid 47463957)
11. Posternak M, Baldereschi A, Catellani A and Resta R 1990 Phys. Rev. Lett. 64 1777
12. Ambacher O 1998 J. Phys. D: Appl. Phys. 31 2653
13. Bernardini F, Fiorentini V and Vanderbilt D 1997 Phys. Rev. B 56 10024
14. Bernardini F, Fiorentini V and Vanderbilt D 1997 Phys. Rev. B 63 193201
15. Alahmed Z and Fu H 2008 Phys. Rev. B 77 045213
16. Duan Y, Qin L, Shi L, Tang G and Shi H 2011 J. Appl. Phys. 110 103712
17. Lim J H, Kang C K, Kim K K, Park I K, Hwang D K and Park S J 2006 Adv. Mater. 18 2720 (Pubitemid 44664109)
18. Madelung O (ed) 2004 Semiconductors: Data Handbook 3rd edn (Berlin: Springer)
19. Fu H and Cohen R E 2000 Nature 403 281 (Pubitemid 30062377)
20. Kornev I A, Bellaiche L, Bouvier P, Janolin P E, Dkhil B and Kreisel J 2005 Phys. Rev. Lett. 95 196804 (Pubitemid 41777225)
21. Duan Y, Tang G, Chen C, Lu T and Wu Z 2012 Phys. Rev. B 85 054108
22. Wu Z and Cohen R E 2005 Phys. Rev. Lett. 95 037601 (Pubitemid 41506300)
23. Nakamura S and Chichibu S F 2000 Introduction to Nitride Semiconductor Blue Lasers and Light Emitting Diodes (London: Taylor and Francis)
24. Holzapfel W B 1996 Rep. Prog. Phys. 59 29
25. Xiang H J, Wei S, Da Silva J F and Li J 2008 Phys. Rev. B 78 193301
26. Yadav S K, Sadowski T and Ramprasad R 2010 Phys. Rev. B 81 144120
27. Dong L, Yadav S K, Ramprasad R and Alpay S P 2010 Appl. Phys. Lett. 96 202106
28. Duan Y, Qin L, Shi L, Tang G and Shi H 2012 Appl. Phys. Lett. 100 022104
29. Heyd J, Scuseria G E and Ernzerhof M 2003 J. Chem. Phys. 118 8207
30. Krukau A V, Vydrov O A, Izmaylov A F and Scuseria G E 2006 J. Chem. Phys. 125 224106 (Pubitemid 44927407)
31. Janotti A, Varley J B, Rinke P, Umezawa N, Kresse G and Van de Walle C G 2010 Phys. Rev. B 81 085212
32. Ágoston P, Albe K, Nieminen R M and Puska M J 2009 Phys. Rev. Lett. 103 245501
33. Blöchl P E 1994 Phys. Rev. B 50 17953
34. Kresse G and Hafner J 1993 Phys. Rev. B 48 13115
35. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
36. Berland K and Hyldgaard P 2010 J. Chem. Phys. 132 134705
37. Parlinski K, Li Z Q and Kawazoe Y 1997 Phys. Rev. Lett. 78 4063
38. http://phonopy.sourceforge.net
39. Baroni S, de Gironcoli S, Dal Corso A and Giannozzi P 2001 Rev. Mod. Phys. 73 515
40. Hamann D R, Wu X, Rabe K M and Vanderbilt D 2005 Phys. Rev. B 71 035117 (Pubitemid 40396397)
41. King-Smith R D and Vanderbilt D 1993 Phys. Rev. B 47 1651
42. Caro M A, Schulz S and O'Reilly E P 2012 Phys. Rev. B 86 014117
43. Wróbel J, Kurzydlowski K J, Hummer K, Kresse G and Piechota J 2009 Phys. Rev. B 80 155124
44. Fu H and Bellaiche L 2003 Phys. Rev. Lett. 91 057601
45. Yadav S K and Ramprasad R 2012 Appl. Phys. Lett. 100 241903
46. Magnuson M, Mattesini M, Hoglund C, Birch J and Hultman L 2010 Phys. Rev. B 81 085125