Density of electronic states and dispersion of optical functions of defect chalcopyrite CdGa2X4 (X = S, Se): DFT study

Materials Research Bulletin

Volumn 48, Issue 11, 2013, Pages 4555-4564

  Reshak, A H ^a,b   Khan, Saleem Ayaz ^a  

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

Author keywords

Electronic structure; Optical properties; Semiconductors

Indexed keywords

DEFECT CHALCOPYRITES; DENSITY OF ELECTRONIC STATE; DIELECTRIC TENSORS; ELECTRONIC CHARGE DENSITY; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; PARALLEL COMPONENT; PARTIAL DENSITY OF STATE;

BAND STRUCTURE; DISPERSIONS; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; SEMICONDUCTOR MATERIALS; TENSORS;

DEFECT DENSITY;

EID: 84883373394     PISSN: 00255408     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.materresbull.2013.07.056     Document Type: Article

References (41)

1. S.S. Fouad, G.B. Sakr, I.S. Yahia, and D.M. Abdel Basset Mater. Res. Bull. 46 11 2011 2141 2146
2. A. Congiu, L. Garbato, and P. Manca Mater. Res. Bull. 8 1973 293 300
3. A.A. Lavrentyev, B.V. Gabrelian, I.Ya. Nikiforov, O.V. Parasyuk, and O.Yu. Khyzhun J. Struct. Chem. 43 2002 69 79
4. V.Yu. Rud, Yu.V. Rud, and A.A. Vaipolin Fiz. Tekh. Poluprovodn. (St. Peterburg) 37 11 2003 1321 1328
5. I.V. Bodnar, V.Yu. Rud, and Yu.V. Rud Neorg. Mater. 40 2 2004 144 148
6. Y. Ayeb, T. Ouahrani, R. Khenata, Ali H. Reshak, D. Rached, A. Bouhemadou, and R. Arrar Comp. Mater. Sci. 50 2010 651 655
7. A.H. Reshak, T. Ouahrani, R. Khenata, A. Otero-de-la-Roza, V. Luana, and H. Baltache Comp. Mater. Sci. 50 2011 886 892
8. S.N. Mustafaeva, M.M. Asadov, and D.T. Guseinov Inorg. Mater. 46 6 2010 587 589
9. V.F. Zhitar, E.D. Arama, V.V. Ursaki, and T.D. Shemyakova Moldavian J. Phys. Sci. 7 2008 N2
10. V.F. Zhitar, A.I. Machuga, and S.I. Radautsan Opt. Spektrosk. 51 1981 948
11. M.M. El-Nahass, A.M.A. El-Barry, E.A.A. El-Shazly, and H.S.S. Omar Eur. Phys. J. Appl. Phys. 52 2010 10502 10510
12. Yu.V. Voroshilov, and V. Slivka Vyshcha Shkola Lviv 1989 200 (in Russian)
13. T.G. Kerimova, Sh.S. Mamedov, and E.Yu. Salaev Fiz. Tekhn. Poluprovodn. 16 10 1982 1904 1905
14. T.G. Kerimova, Sh.S. Mamedov, and E.Yu. Salayev Solid State Commun. 48 7 1983 597 599
15. Yu.A. Khazitarkhanov, L.M. Suslikov, Z.P. Gadmashi, and V.Yu. Slivka Quantum Electron. (Kyiv) 44 24 1993 24 38
16. A.M. Salem J. Phys. D: Appl. Phys. 36 2003 1030 1035
17. M.M. El-Nahass, E.A.A. El-Shazly, A.M.A. El-Barry, and H.S.S. Omar J. Mater. Sci. 46 2011 5743 5750
18. N.N. Syrbu, and V.E. Tezlevan Phys. B 210 1995 43 48
19. V.V. Ursaki, I.I. Burlakov, I.M. Tiginyanu, Y.S. Raptis, E. Anastassakis, and A. Anedda Phys. Rev. B 59 1999 257 268
20. M. Fuentes-Cabrara J. Phys.: Condens. Matter 13 2001 10117 10124
21. A.A. Lavrentyev, B.V. Gabrelian, I.Ya. Nikiforov, O.V. Parasyuk, and Yu.O. Khyzhun J. Alloys Compd. 481 2009 28 34
22. S.H. Ma, Z.Y. Jiao, and X.Z. Zhang J. Mater. Sci. 47 2012 3849 3854
23. K.J. Hong, T.S. Jeong, and C.J. Youn J. Mater. Sci. 44 2009 3943 3947
24. O. Madelung Semiconductors Data Handbook 3rd ed. 2004 Springer Berlin
25. A.N. Georgobiani, S.I. Radautsan, and M. Tiginyanu Sov. Phys. Semicond. 19 1985 121
26. S. Gao Comput. Phys. Commun. 153 2003 190 198
27. K. Schwarz J. Solid State Chem. 176 2003 319 328
28. P. Balaha, K. Schwartz, G.K.H. Madsen, D. Kvsnicka, and J. Luitz WIEN2K, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystals Properties, Karlheinz Schwartz 2001 Techn. Universitat Wien, Austria ISBN 3-9501031-1-2
29. D.M. Ceperley, and B.I. Alder Phys. Rev. Lett. 45 1980 566 569
30. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865 3868
31. E. Engel, and S.H. Vosko Phys. Rev. B 47 1993 13164 13174
32. D. Koller, F. Tran, and P. Blaha Phys. Rev. B 83 2011 195134 195143
33. I. Khan, I. Ahmad, D. Zhang, H.A. Rahnamaye Aliabad, and S.J. Asadabadi J. Phys. Chem. Solids 74 2 2013 181 188
34. S.A. Khan, and A.H. Reshak Int. J. Electrochem. Sci. 8 2013 9459 9473
35. A.H. Reshak, and S. Ayaz Khan Comp. Mater. Sci. 78 2013 91 97
36. R. Hoffman Rev. Mod. Phys. 60 1988 601 628
37. C.D. Gellatt, A.R. Willaims Jr., and V.L. Moruzzi Phys. Rev. B 27 1983 2005 2013
38. Schlusseltechnologien Key Technologies, 41st IFF Springschool, 2010, p. A1.18.
39. J. Singh Optical Properties of Condensed Matter and Applications 2006 John Wiley Sons ISBN-13 978-0-470-02192-7 (HB), England
40. A. Delin, P. Ravindran, O. Eriksson, and J.M. Wills Int. J. Quant. Chem. 69 1998 349 358
41. H. Tributsch Naturforsch. A 32A 1977 972