Effect of increasing tellurium content on the electronic and optical properties of cadmium selenide telluride alloys CdSe1-xTe x: An ab initio study

Journal of Alloys and Compounds

Volumn 509, Issue 24, 2011, Pages 6737-6750

  Reshak, Ali Hussain ^a,b   Kityk, I V ^c   Khenata, R ^d,e   Auluck, S ^f  

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

^c CZESTOCHOWA UNIVERSITY OF TECHNOLOGY   (Poland)

^d UNIVERSITÉ DE MASCARA   (Algeria)

^e KING SAUD UNIVERSITY   (Saudi Arabia)

^f NATIONAL PHYSICAL LABORATORY   (India)

Author keywords

DFT; FPLAPW; Optical properties (linear and nonlinear)

Indexed keywords

AB INITIO; AB INITIO STUDY; ATOMIC BONDS; BAND GAPS; CADMIUM SELENIDES; CDTE; CUBIC STRUCTURE; DENSITY OF STATE; DFT; ENERGY BANDGAPS; EXCHANGE-CORRELATION POTENTIAL; FP-LAPW; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; NON-LINEAR RELATIONSHIPS; NONLINEAR OPTICAL SUSCEPTIBILITIES; OPTICAL PROPERTIES (LINEAR AND NONLINEAR); SECOND-ORDER SUSCEPTIBILITY; SPECTRAL FEATURE; THEORETICAL STUDY; WURTZITE STRUCTURE;

ALLOYS; CADMIUM; CADMIUM COMPOUNDS; CADMIUM TELLURIDE; CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES; SOLID ELECTROLYTES; SOLIDS; TELLURIUM; TELLURIUM COMPOUNDS; ZINC SULFIDE;

CADMIUM ALLOYS;

EID: 79956203546     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2011.03.029     Document Type: Article

References (67)

1. W. Lotz J. Opt. Soc. Am. 60 1970 206
2. R.E. Bailey, J.B. Strausburg, and S. Nie J. Nanosci. Nanotechnol. 4 2004 569 574
3. V.D. Das Proc. SPIE 1523 1992 326 333 Conf on Physics and Technology of Semiconductor Devices and Integrated Circuits
4. D. Ravichandran, F.P. Xavier, S. Sasikala, and S.M. Babu Bull. Mater. Sci. 19 1996 437 442
5. P.D. More, G.S. Shahane, L.P. Deshmukh, and P.N. Bhosale Mater. Chem. Phys. 80 2003 48 54
6. Y. Azhniuk, Y.I. Hutych, V.V. Lopushansky, L.A. Prots, A.V. Gomonnai, and D.R.T. Zahn Phys. Status Solidi (c) 6 9 2009 2064 2067
7. S. Ouendadji, S. Ghemid, H. Meradji, and F.El. Haj Hassan Comput. Mater. Sci. 48 2010 206 211
8. N. Muthukumarasamy, S. Jayakumar, M.D. Kannan, and R. Balasundaraprabhu Solar Energy 83 2009 522 526
9. E. Konstantinova-Kabassanova, Z. Nenova, A. Lusson, Y. Marfaing, K. Kabassanov, and Y. Bistrev J. Mater. Sci.: Mater. Electron. 11 2000 679 683
10. M. Schenk, and C. Silber J. Mater. Sci.: Mater. Electron. 9 1998 295 300
11. D.J. Chadi, J.P. Walter, and M.L. Cohen Phys. Rev. B 5 1972 3058
12. J.R. Chelikowsky, and M.L. Cohen Phys. Rev. B 14 1976 556
13. A. Zunger, and A.J. Freeman Phys. Rev. B 17 1978 4850
14. K.J. Chang, S. Froyen, and M.L. Cohen Phys. Rev. B 28 1983 4736
15. M.Z. Huang, and W.Y. Ching J. Phys. Chem. Solids 46 1985 977
16. Ali Hussain Reshak J. Chem. Phys. 124 2006 104707
17. G.K.H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, and L. Nordström Phys. Rev. B 64 2001 195134
18. K. Schwarz, P. Blaha, and G.K.H. Madsen Comput. Phys. Commun. 147 2002 71
19. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz Computer Code wien2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties 2001 Vienna University of Technology Vienna, Austria 3-9501031-1-2
20. A. Zunger, S.-H. Wei, L.G. Feireira, and J.E. Bernard Phys. Rev. Lett. 65 1990 353
21. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
22. E. Engel, and S.H. Vosko Phys. Phys. Rev. B 47 1993 13164
23. P. Dufek, P. Blaha, and K. Schwarz Phys. Rev. B 50 1994 7279
24. P.E. Blöchl, O. Jepsen, and O.K. Anderson Phys. Rev. B 49 1994 16223
25. F.D. Murnaghan Proc. Natl. Acad. Sci. U. S. A. 30 1944 244
26. M.-Z. Huang, and W.Y. Ching Phys. Rev. B 47 1993 9449
27. A.H. Reshak, R. Khenata, I.V. Kityk, K.J. Plucinski, and S. Auluck J. Phys. Chem. 113 2009 5803
28. S.N. Rashkeev, W.R.L. Lambrecht, and B. Segall Phys. Rev. B 57 1998 3905
29. S.N. Rashkeev, W.R.L. Lambrecht, and B. Segall Phys. Rev. B 57 1998 9705
30. H.Z. Tributsch Naturforsch A 32A 1977 972
31. D.R. Penn Phys. Rev. 128 1962 2093
32. A.H. Reshak, Ph.D. Thesis, Indian Institute of Technology-Roorkee-India, 2005
33. S. Sharma, and C. Ambrosch-Draxl Phys. Scripta T 109 2004 128
34. S. Sharma, J.K. Dewhurst, and C. Ambrosch-Draxl Phys. Rev. B 67 2003 165332
35. J.L.P. Hughes, and J.E. Sipe Phys. Rev. B 53 1996 10751
36. S.N. Rashkeev, and W.R.L. Lambrecht Phys. Rev. B 63 2001 165212
37. R.W.G. Wyckoff Crystal Structures vol. 1 1963 John Wiley & Sons, Inc.
38. L. Ley, R.A. Pollak, F.R. McFeely, S.P. Kowalczyk, and D.A. Shirley Phys. Rev. B 9 1974 600
39. K.O. Magnusson, U.O. Karlsson, D. Straub, S.A. Flodström, and F.J. Himpsel Phys. Rev. B 36 1987 6566
40. T.K. Bergstresser, and M.L. Cohen Phys. Rev. 164 1967 1069
41. A. Kobayashi, O.F. Sankey, S.M. Volz, and J.D. Dow Phys. Rev. B 28 1983 935
42. D.J. Stukel, R.N. Euwema, T.C. Collins, F. Herman, and R.L. Kortum Phys. Rev. 179 1969 740
43. J.L. Freeouf Phys. Rev. B 7 1973 3810
44. A. Manabe, A. Mitsuishi, and H. Yoshinaga Jpn. J. Appl. Phys. 6 1967 593
45. D.T.F. Marple J. Appl. Phys. 35 1964 539
46. R.A. Soref, and H.W. Moos J. Appl. Phys. 188 1969 1211
47. C.K.N. Patel Phys. Rev. Lett. 16 1966 613
48. M.M. Choy, and R.L. Byer Phys. Rev. B 14 1976 1693
49. G.H. Sherman, and P.D. Coleman J. Appl. Phys. 44 1973 238
50. B.F. Levine Phys. Rev. B 7 1973 2600
51. J.C. Phillips, and J.A. Van Vechter Phys. Rev. 183 1969 709
52. D.A. Kleinman Phys. Rev. B 2 1970 3139
53. C.L. Tang, and C. Flytzanis Phys. Rev. B 4 1971 2520
54. M.I. Bell Phys. Rev. B 6 1972 516
55. C.L. Tang IEEE J. Quantum Electron. QE-9 1973 755
56. D.E. Aspnes Phys. Rev. B 6 1972 4648
57. M.M. Choy, S. Ciraci, and R.L. Byer IEEE J. Quantum Electron. QE-11 1975 40
58. E. Ghahramani, D.J. Moss, and J.E. Sipe Phys. Rev. B 43 1991 9700
59. E. Ghahramani, D.J. Moss, and J.E. Sipe Phys. Rev. B 43 1991 8990
60. O. Madelung, M. Schlz, H. Weiss, and Landolt-Borstein Numerical Data and Functional Relationships in Science and Technology vol. 17 1982 Springer Berlin
61. J. Heyd, J.E. Peralta, and G.E. Scuseria J. Chem. Phys. 123 2005 174101
62. E. Deligoz, K. Colakoglu, and Y. Ciftci Physica B 373 2006 124
63. S. Zerroug, F. Ali Sahraoui, and N. Bouarissa Eur. Phys. J. B 57 2007 9
64. Z.C. Feng, P. Becla, L.S. Kim, S. Perkowitz, Y.P. Feng, H.C. Poon, K.P. Williams, and G.D. Pitt J. Cryst. Growth 138 1994 239
65. J.P. Mangalhara, R. Thangaraj, and O.P. Agnihotrii Solar Energy Mater. 19 1989 157
66. H.C. Poon J. Phys. Condens. Matter 7 1995 2783
67. S.M. Hosseini Physica B 403 2008 1907