First-principles calculations of the elastic, electronic and optical properties of AgGaS2

Physica Scripta

Volumn 82, Issue 5, 2010, Pages

  Hai Jun, Hou ^a   Shi Fu, Zhu ^a   Bei Jun, Zhao ^a   You, Yu ^a   Lin Hua, Xie ^b  

^a SICHUAN UNIVERSITY   (China)

^b SICHUAN NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION COEFFICIENTS; CHALCOPYRITE STRUCTURES; CRYSTAL MATERIAL; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; DIELECTRIC FUNCTIONS; ELECTRON ENERGY LOSS SPECTRUM; ENERGY BANDGAPS; ENERGY RANGES; EXPERIMENTAL DATA; EXTINCTION COEFFICIENTS; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; OPTICAL REFLECTIVITY; OPTIMIZED STRUCTURES; ULTRASOFT PSEUDO POTENTIAL;

ABSORPTION SPECTROSCOPY; BAND STRUCTURE; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY DISSIPATION; MECHANICAL STABILITY; REFRACTIVE INDEX;

CRYSTAL STRUCTURE;

EID: 78149366160     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/82/05/055601     Document Type: Article

References (52)

1. Kazmerski L 1983 Nuovo Cimento D 2 2013
2. Wagner S, Shay J L, Tell B and Kasper H M 1973 Appl. Phys. Lett. 22 351
3. Levine B F 1973 Phys. Rev. B 7 2591
4. Jackson A G, Ohmer M C and LeClair S R 1997 Infrared Phys. Technol. 38 233
5. Rashkeev S N and Lambrecht W R L 2001 Phys. Rev. B 63 165212
6. Lee M H, Yang C H and Jan J H 2004 Phys. Rev. B 70 235110
7. Chen B J, Zhu S F, Zhao B J, Zhang J J, Huang Y, Li M, Liu J, Tan B, Wang R L and He Z Y 2006 J. Cryst. Growth 292 490
8. Chen B J, Zhu S F, Zhao B J, Lei Y B, Wu X J, Yuan Z R and He Z y 2008 J. Cryst. Growth 310 635
9. Isaenko L, Yelisseyev A, Lobanov S, Krinitsin P, Petrov V and Zondy J J 2006 J. Non-Cryst. Solids 352 2439
10. Isaenko L, Vasilyeva I, Merkulov A, Yelisseyev A and Lobanov S 2005 J. Cryst. Growth 275 217
11. Boyd G D, Kasper H M and McFee J H 1971 IEEE J. Quantum Electron. 7 563
12. Luis A and Yves B 1987 J. Phys. C: Solid State Phys. 20 1365
13. Tell B and Kasper H M 1971 Phys. Rev. B 4 4455
14. Chen S Y and Gong X G 2007 Phys. Rev. B 75 205209
15. Chahed A, Benhelal O, Laksari S, Abbar B, Bouhafs B and Amrane N 2005 Physica B 367 142
16. Brik M G 2009 J. Phys.: Condens. Matter 21 485502
17. Reshak Ali Hussain 2005 Physica B 369 243
18. Łażewskia J, Neumann H, Jochym P T and Parlinski K 2003 J. Appl. Phys. 93 3789
19. Neumann H, Łażewski J, Jochym P T and Parlinski K 2007 Phys. Rev. B 75 224301
20. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
21. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
22. Vanderbilt D 1990 Phys. Rev. B 41 7892
23. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
24. Payne M C, Teter M P, Allen D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
25. 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
26. Murnaghan F D 1944 Proc. Natl Acad. Sci. USA 30 244
27. Shay J L and Wernick J H 1974 Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties and Applications (Oxford: Pergamon)
28. Neumann H 1986 Phys. Status Solidi a 96 K121
29. Tinoco T, Polian A, Itie J P, Moya E and Gonzales J 1995 J. Phys. Chem. Solids 55 481
30. Grimditch M H and Holah G D 1975 Phys. Rev. B 12 4377
31. Neumann W N and Wilkinson K H 1971 J. Phys. D: Appl. Phys. 4 1182
32. Tell B, Shay J L and Kasper H M 1972 Phys. Rev. B 6 3008
33. Tang L C, Lee M H, Yang C H, Huang J Y and Chang C S 2003 J. Phys.: Condens. Matter 15 6043
34. Jaffe J E and Zunger D 1984 Phys. Rev. B 29 1882
35. Asokamani R, Amirthakumari R M, Rita R and Ravi C 1999 Phys. Status Solidi b 213 349
36. Deus P and Schneider H A 1985 Cryst. Res. Technol. 20 867
37. Kumar V, Prasad G M and Chandra D 1994 Phys. Status Solidi b 186 K45
38. Meng Q B, Xiao C Y, Wu Z J, Feng K A, Lin Z D and Zhang S Y 1998 Solid State Commun. 107 369
39. Rashkeev S N and Lambrecht W R L 2001 Phys. Rev. B 63 165212
40. Born M and Huang K 1954 Dynamical Theory of Crystal Lattices (Oxford: Clarendon)
41. Neumann H 2004 Cryst. Res. Technol. 39 939
42. Orlova N S 1998 Cryst. Res. Technol. 33 87
43. Kitahara Eba H, Ishizawa N, Marumo F and Noda Y 2000 Phys. Rev. B 61 3310
44. Mori Y, Takarabe K, Iwamoto S, Minomura S, Niwa E and Masumoto K 1996 Phys. Status Solidi b 198 427
45. Tinoco T, Polian A, Itie J P, Moya E and Gonzalez J 1995 J. Phys. Chem. Solids 56 481
46. Laksari S, Chahed A, Abbouni N, Benhelal O and Abbar B 2006 Comput. Mater. Sci. 38 223
47. Shein I R and Ivanovskii A L 2008 Scr. Mater. 59 1099
48. Reuss A and Angew 1929 Z. Math. Mech. 9 49
49. Mehl M J, Osburn J E, Papaconstantopoulus D A and Klein B M 1990 Phys. Rev. B 41 10311
50. Hill R 1952 Proc. Phys. Soc. A 65 349
51. Fine M E, Brown L D and Marcus H L 1984 Scr. Met al.l. 18 951
52. Power Ch, Gilliland S, Segura A and Gonzalez J 2003 Phys. Status Solidi b 235 326