A first-principle analysis on the phase stabilities, chemical bonds and band gaps of wurtzite structure AxZn1-xO alloys (A = Ca, Cd, Mg)

Journal of Physics Condensed Matter

Volumn 20, Issue 23, 2008, Pages

  Fan, X F ^a   Sun, H D ^a   Shen, Z X ^a   Kuo, Jer Lai ^a   Lu, Y M ^b  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b CHANGCHUN INSTITUTE OF OPTICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ENERGY GAP; PHASE STABILITY; PHASE STRUCTURE;

VEGARD RULE; WURTZITE STRUCTURE;

ZINC ALLOYS;

EID: 44649099015     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/23/235221     Document Type: Article

References (85)

1. Thomas D G 1960 J. Phys. Chem. Solids 15 86
2. Bagnall D et al 1997 Appl. Phys. Lett. 70 2230
3. Yu P et al 1997 Solid State Commun. 103 459
4. Tang Z K et al 1998 Appl. Phys. Lett. 72 3270
5. Makino T et al 2001 Appl. Phys. Lett. 78 1237
6. Nakamura A et al 2007 Appl. Phys. Lett. 90 093512
7. Segnit E R and Holland A E 1965 J. Am. Ceram. Soc. 48 412
8. Ohtomo A et al 1999 Appl. Phys. Lett. 75 980
9. Sharma A K et al 1999 Appl. Phys. Lett. 75 3327
10. Park W I, Yi G-C and Jang H M 2001 Appl. Phys. Lett. 79 2022
11. Choopun S et al 2002 Appl. Phys. Lett. 80 1529
12. Narayan J et al 2002 Solid State Commun. 121 9
13. Chen J et al 2003 J. Phys.: Condens. Matter 15 L475
14. Takagi T et al 2003 Japan. J. Appl. Phys. 2 42 L401
15. Fujita S et al 2004 Phys. Status Solidi b 241 599
16. Norton D P et al 2004 Mater. Today 7 34
17. Koike K et al 2005 J. Cryst. Growth 278 288
18. Tanaka H, Fujita S and Fujita S 2005 Appl. Phys. Lett. 86 192911
19. Vashaei Z et al 2005 J. Appl. Phys. 98 054911
20. Wencstern H v et al 2006 Appl. Phys. Lett. 89 092122
21. Chang Y-S et al 2007 J. Appl. Phys. 101 033502
22. Kim Y-I, Page K and Seshadri R 2007 Appl. Phys. Lett. 90 101904
23. Ryu Y R et al 2006 Appl. Phys. Lett. 88 052103
24. Kim Y-S, Lee E-C and Chang K J 2001 J. Korean Phys. Soc. 39 S92
25. Sanati M, Hart G L W and Zunger A 2003 Phys. Rev. B 68 155210
26. Fan X F et al 2007 Appl. Phys. Lett. 91 121121
27. Sakurai K et al 2000 Japan. J. Appl. Phys. 39 L1146
28. Sakurai K et al 2002 J. Cryst. Growth 514 237
29. Gruber T et al 2003 Appl. Phys. Lett. 83 3290
30. Shigemori S et al 2004 Japan. J. Appl. Phys. 2 43 L1088
31. Lee S Y et al 2004 Appl. Phys. Lett. 85 218
32. Wang X J et al 2006 Appl. Phys. Lett. 89 151909
33. Bertram F et al 2006 Appl. Phys. Lett. 88 061915
34. Z̃iga-Pérez J et al 2006 J. Appl. Phys. 99 023514
35. Sun C W et al 2006 Appl. Phys. Lett. 89 181923
36. Ishihara J et al 2006 Appl. Phys. Lett. 89 091914
37. Buyanova I A et al 2007 Appl. Phys. Lett. 90 261907
38. Pandey R, Jaffe J E and Kunz A B 1990 Phys. Rev. B 43 9228
39. Kotani T 1994 Phys. Rev. B 50 14816
40. Yamasaki A and Fujiwara T 2002 Phys. Rev. B 66 245108
41. Koffyberg F P 1970 Phys. Rev. B 13 4470
42. Boettger J C and Kunz A B 1983 Phys. Rev. B 27 1359
43. Guerrero-Moreno R J and Takeuchi N 2002 Phys. Rev. B 66 205205
44. Karki B B et al 2000 Phys. Rev. B 61 8793
45. Oganov A R and Dorogokupets P I 2003 Phys. Rev. B 67 224110
46. Limpijumnong S and Jungthawan S 2004 Phys. Rev. B 70 054104
47. Serrano J et al 2004 Phys. Rev. B 69 094306
48. Sun J et al 2005 Phys. Rev. B 71 125132
49. Jaffe J E, Pandey R and Kunz A B 1991 Phys. Rev. B 43 14030
50. Jaffe J E et al 2000 Phys. Rev. B 62 1660
51. Gopal P and Spaldin N A 2006 J. Electron. Mater. 35 538
52. Janotti A, Segev D and Walle C G V d 2006 Phys. Rev. B 74 045202
53. Schleife A et al 2006 Phys. Rev. B 73 245212
54. Janotti A and Walle C G V d 2007 Phys. Rev. B 75 121201(R)
55. Parthe E 1964 Crystal Chemistry of Tetrahedral Structures (New York: Gordon and Breach)
56. Parthe E 1964 Crystal Chemistry of Tetrahedral Structures (New York: Gordon and Breach)
57. Ohtomo A et al 1998 Appl. Phys. Lett. 72 2466
58. Ehrenreich H and Schwartz L M 1976 Solid State Physics ed H Ehrenreich, F Seitz and D Turnbull (New York: Academic)
59. Zunger A et al 1990 Phys. Rev. Lett. 65 353
60. Wei S H et al 1990 Phys. Rev. B 42 9622
61. Chen A B and Sher A 1995 Semiconductor Alloys: Physics and Material Engineering (New York: Plenum)
62. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
63. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
64. Blöchl P E 1994 Phys. Rev. B 50 17953
65. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
66. Kresse G and Hafner J 1993 Phys. Rev. B 47 558
67. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
68. Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
69. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
70. Limpijumnong S and Lambrecht W R L 2001 Phys. Rev. B 63 104103
71. Seko A et al 2005 Phys. Rev. B 72 024107
72. Vegard L 1921 Z. Phys. 5 17
73. Sarver J F, Katnack F L and Hummel F A 1959 J. Electrochem. Soc. 106 960
74. Malashevich A and Vanderbilt D 2007 Phys. Rev. B 75 045106
75. Sökeland F et al 2003 Phys. Rev. B 68 075203
76. Bernard J E and Zunger A 1987 Phys. Rev. B 36 3199
77. Pichet P, Mao H K and Bell P M 1988 J. Geophys. Res. 93 15279
78. Decremps F et al 2003 Phys. Rev. B 68 104101
79. Zhang J 1999 Phys. Chem. Minerals 26 644
80. Karzel H et al 1996 Phys. Rev. B 53 11425
81. Landolt-Börnstein 1975 Numerical Data and Functional Relationships, Crystal Structure Data of Inorganic Compounds (Berlin: Springer)
82. Recio J M et al 1998 Phys. Rev. B 58 8949
83. Desgreniers S 1998 Phys. Rev. B 58 14102
84. Koffyberg F P 1976 Phys. Rev. B 13 4470
85. Madelung O 2003 Semiconductor: Data Handbook (New York: Springer)