Structural, thermodynamic and electronic properties of zinc-blende AlN from first-principles calculations

Chinese Physics B

Volumn 18, Issue 3, 2009, Pages 1207-1213

  Zhang, Wei ^a   Cheng, Yan ^a   Zhu, Jun ^a   Chen, Xiang Rong ^a,b  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

AlN; Band structure; Local density approximation (LDA); Thermodynamic properties

Indexed keywords

ALN; DEFORMATION POTENTIAL; FIRST-PRINCIPLES CALCULATION; HEAT CAPACITIES; LOCAL DENSITY APPROXIMATION (LDA); PLANE-WAVE BASIS SET; QUASI-HARMONIC DEBYE MODEL; ROCK SALT; THERMAL EXPANSION COEFFICIENTS; ZINC-BLENDE; ZINC-BLENDE ALN;

ELECTRONIC PROPERTIES; ENERGY GAP; LITHIUM BATTERIES; ORGANIC POLYMERS; PHASE TRANSITIONS; RAPID SOLIDIFICATION; SOLID STATE PHYSICS; SOLIDS; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES; ZINC;

STRUCTURAL PROPERTIES;

EID: 67650735927     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/3/061     Document Type: Article

References (47)

1. Wu Y F, Keller B P, Keller S, Kapolnek D, Kozodoy P, Denbaars S P and Mishra U K 1996 Appl. Phys. Lett. 69 1438
2. Liu F S, Liu Q L, Liang J K, Luo J, Su J, Zhang Y, Sun B J and Rao G H 2006 Chin. Phys. 15 2445
3. Jonnard P, Capron N, Semond F, Massies J, Martinez-Guerrero E and Mariette H 2004 Euro. Phys. J. B 42 351
4. Edgar J H 1994 Properties of Group III Nitrides Electronic Materials Information Service (EMIS) Data Reviews Series (London: Institution of Electrical Engineers)
5. Ponce F A and Bour D P 1997 Nature 386 351
6. Nakamura S, Senoh M, Nagahama S, Iwasa N, Yamada T, Matsushita T, Sugimoto Y and Kikoyu H 1997 Japan. J. Appl. Phys. 36 1059
7. Petrov I, Mojab E, Powell R C, Greene J E, Hultman L and Sundgren J E 1992 Appl. Phys. Lett. 60 1491
8. Thompson M P, Auner G W, Zheleva T S, Jones K A, Simko S J and Hilfiker J N 2001 J. Appl. Phys. 89 3331
9. Xia Q, Xia H and Ruoff A L 1993 J. Appl. Phys. 73 8193
10. Xia Q, Xia H and Ruoff A L 1993 J. Appl. Phys. 73 12925
11. Uehara S, Masamoto T, Onodera A, Ueno M, Shimomura O and Takemura K 1997 J. Phys. Chem. Solids 58 2093
12. Christensen N E and Gorczyca I 1994 Phys. Rev. B 50 4397
13. Serrano J, Rubio A, Hernndez E, Munoz A and Mujica A 2000 Phys. Rev. B 62 16612
14. Goumri-Said S, Kanoun M B, Merad A E, Merad G B and Aourag H 2004 Chem. Phys. 302 135
15. Siegel A, Parlinski K and Wdowik U D 2006 Phys. Rev. B 74 104116
16. Wright A F 1997 J. Appl. Phys. 82 2833
17. Kim K, Lambrecht W R L and Segall B 1996 Phys. Rev. B 53 16310
18. Karch K, Wagner J M and Bechstedt F 1998 Phys. Rev. B 57 7043
19. Payne M C, Teter M P, Allen D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
20. Milman V, Winkler B, White J A, Packard C J, Payne M C, Akhmatskaya E V and Nobes R H 2000 Int. J. Quantum Chem. 77 895
21. Vanderbilt D 1990 Phys. Rev. B 41 7892
22. Vosko S H, Wilk L and Nusair M 1980 Can. J. Phys. 58 2100
23. Blanco M A, Martín P A, Francisco E, Recio J M and Franco R 1996 J. Mol. Struct. (Theochem.) 368 245
24. Flórez M, Recio J M, Francisco E, Blanco M A and Pends A M 2002 Phys. Rev. B 66 144112
25. Pugh S K, Dugdale D J, Brand S and Abram R A 1999 Semicond. Sci. Technol. 14 23
26. Francisco E, Blanco M A and Sanjurjo G 2001 Phys. Rev. B 63 094107
27. Li X F, Chen X R, Meng C M and Ji G F 2006 Solid State Commun. 139 197
28. Hao Y J, Cheng Y, Wang Y J and Chen X R 2007 Chin. Phys. 16 217
29. Zhou X L, Liu K, Chen X R and Zhu J 2006 Chin. Phys. 15 3014
30. Birch F 1947 Phys. Rev. 71 809
31. Vogel D, Kruüger P and Pollmann J 1997 Phys. Rev. B 55 12836
32. Shimada K, Sota T and Suzuki K 1998 J. Appl. Phys. 84 4951
33. Bechstedt F, Grossner U and Furthmüller J 2000 Phys. Rev. B 62 8003
34. Zoroddu A, Bernardini F, Ruggerone P and Fiorentini V 2001 Phys. Rev. B 64 045208
35. Fuchs M, Da Silva J L F, Stampfl C, Neugebeaur J and Scheffler M 2002 Phys. Rev. B 65 245212
36. Stampfl C and van de Walle C G 1999 Phys. Rev. B 59 5521
37. Kanoun M B, Goumri-Said S, Merad A E, Merad G, Cibert J and Aourag H 2004 Semicond. Sci. Technol. 19 1220
38. Trampert A, Brandt O, Ploog K H 1998 Crystal Structure of Group III Nitrides, Semiconductors and Semimetals vol 50 Pankove J I, Moustakas T D (eds) (San Diego: Academic)
39. Srinivas R, Sulze D and Schwarz H 1990 J. Am. Chem. Soc. 112 8334
40. Fine M E, Brown L D and Marcus H L 1984 Scr. Metall. 18 951
41. Massalski T B 1990 Binary Alloys, Phase Diagrams 2nd edn (USA: ASM International) p 176
42. Madelung O, Blachnik R and Kress W 1982 Semiconductors Madelung O Landolt Börnstein, New Series Group III vol III Schulz M and Weiss H (eds) (Berlin: Springer-Verlag) Part 17a
43. van Camp P E, van Doren V F and Devreese J T 1992 Phys. Rev. B 44 9056
44. van Camp P E, van Doren V F and Devreese J T 1992 Solid State Commun. 81 23
45. Pugh S K, Dugdale D J, Brand S and Abram R A 1999 Semicond. Sci. Technol. 14 23
46. Rubio A, Corkill J L, Cohen M L, Shirley E L and Louie S G 1993 Phys. Rev. B 48 11810
47. Wei S H and Zunger A 1999 Phys. Rev. B 60 5404