Structural parameters, band-gap bowings and phase diagrams of zinc-blende Sc1-xInxP ternary alloys: A FP-LAPW study

Journal of Alloys and Compounds

Volumn 574, Issue , 2013, Pages 124-130

  López Pérez, William ^a   Simon Olivera, Nicolás ^a   Molina Coronell, Javier ^a   González García, Alvaro ^b   González Hernández, Rafael ^a  

^a UNIVERSIDAD DEL NORTE   (Colombia)

^b UNIVERSIDAD DE LA COSTA   (Colombia)

Author keywords

Density functional calculations; Electronic properties; Structural properties; Thermodynamic properties

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRONIC PROPERTIES; ENTHALPY; INDIUM; INDIUM ALLOYS; LATTICE CONSTANTS; LOCAL DENSITY APPROXIMATION; MIXING; PHASE DIAGRAMS; SEMICONDUCTING INDIUM; STRUCTURAL PROPERTIES; THERMODYNAMIC PROPERTIES; ZINC; ZINC SULFIDE;

EXCHANGE CORRELATION ENERGY; EXCHANGE CORRELATIONS; FIRST PRINCIPLES TOTAL ENERGY CALCULATIONS; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; INDIUM CONCENTRATION; PERDEW-BURKE-ERNZERHOF; SEMICONDUCTING ALLOYS;

ENERGY GAP;

EID: 84877091176     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2013.03.108     Document Type: Article

References (46)

1. Sadao Adachi, Properties of Semiconductor Alloys: Group-IV, IIIV and IIVI Semiconductors, Wiley Series in Materials for Electronic and Optoelectronic Applications, John Wiley and Sons Ltd., 2009.
2. V. Swaminathan, in: A. Katz (Ed.), Indium Phosphide and Related Materials: Processing, Technology, and Devices, Artech House, Boston, 1992.
3. V. Swaminathan, A.T. Macrander, Materials Aspects of GaAs and InP Based Structures, Prentice Hall, Englewood Cliffs, NJ, 1991.
4. T.J. Coutts, S. Naseem, Appl. Phys. Lett. 46 (1985) 364.
5. M.B. Spitzer, C.J. Keavney, S.M. Vernon, V.E. Haven, Appl. Phys. Lett. 51 (1987) 364.
6. V. Korobov, M. Leibovitch, Yoram Shapira, Appl. Phys. Lett. 74 (1993) 3251.
7. J. Wang, M.K. Gudiksen, X. Duan, Y. Cui, C.M. Lieber, Science 293 (2001) 1455.
8. Koichi Murata, Kimikazu Sano, Hiroyuki Fukuyama, Toshihiko Kosugi, Makoto Nakamura, Hirohiko Sugahara, Masami Tokumitsu, Takatomo Enoki, Thin Solid Films 515 (2007) 4313.
9. M.V.V.M. Satya Kishore, U.V. Varadaraju, J. Power Sources 156 (2006) 594.
10. Carmen S. Menoni, Ian L. Spain, Phys. Rev. B 35 (1987) 7520.
11. D. Nichols, D. Rimai, R. Sladek, Solid State Commun. 36 (1980) 667.
12. R. Trommer, H. Muller, M. Cardona, P. Vogl, Phys. Rev. B 21 (1980) 4869.
13. P. Rochon, E. Fortin, Phys. Rev. B 12 (1975) 5803.
14. W.M. Yim, E.J. Stofko, R.T. Smith, J. Appl. Phys. 43 (1972) 254.
15. Rashid Ahmed, Fazal-e-Aleem, S. Javad Hashemifar, Hadi Akbarzadeh, Physica B 403 (2008) 1876.
16. A. Bouhemadou, R. Khenata, M. Kharoubi, T. Seddik, Ali H. Reshak, Y. Al-Douri, Comput. Mater. Sci. 45 (2009) 474.
17. A. Mujica, R.J. Needs, Phys. Rev. B. 55 (1997) 9659.
18. P.E. Van Camp, V.E. Van Doren, J.T. Devreese, Phys. Rev. B 41 (1990) 1598.
19. N. Bouarissa, Solid-State Electron. 44 (2000) 2193.
20. O. Arbouche, B. Belgoumene, B. Soudini, Y. Azzaz, H. Bendaoud, K. Amara, Comput. Mater. Sci. 47 (2010) 685.
21. A. Maachou, B. Amrani, M. Driz, Physica B 388 (2007) 384.
22. Wenhui Xue, You Yu, Yuna Zhao, HuiLei Han, Tao Gao, Comput. Mater. Sci. 45 (2009) 1025.
23. S. Ugur, F. Soyalp, Solid State Commun. 147 (2008) 198.
24. K. Iga, S. Kinoshita, Process Technology for Semiconductor Lasers, Springer- Verlag, Berlin, 1996.
25. M. Quillec, Materials for Optoelectronics, Kluwer Academic Publ, Boston, 1996.
26. U.K. Mishra, J. Singh, Semiconductor Device Physics and Design, Springer, Dordrecht, 2008.
27. M. Othman, E. Kasap, N. Korozlu, Physica B 405 (2010) 2357.
28. Mohammed Ameri, Ali Bentouaf, Mohammed Doui-Aici, Rabah Khenata, Fatima Boufadi, Amina Touia, Mater. Sci. Appl. 2 (2011) 729.
29. Alex Zunger, S.H. Wei, L.G. Ferreira, James E. Bernard, Phys. Rev. Lett. 65 (1990) 353.
30. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2k, an Augmented Plane Wave plus Local Orbital Program for Calculating Crystal Properties, Vienna University of Technology, Vienna, Austria, 2001.
31. P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) 864.
32. W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) 1163.
33. J.P. Perdew, Y. Wang, Phys. Rev. B 45 (1992) 13244.
34. J.P. Perdew, K. Burke, M. Emzerhof, Phys. Rev. Lett. 77 (1996) 3865.
35. E. Engel, S.H. Vosko, Phys. Rev. B 47 (1993) 13164.
36. F.D. Murnaghan, Proc. Natl. Acad. Sci. USA 30 (9) (1944) 244.
37. L. Vegard, Z. Phys. 5 (1921) 17.
38. B. Jobst, D. Hommel, U. Lunz, T. Gerhard, G. Landwehr, Appl. Phys. Lett. 69 (1996) 97.
39. A.R. Denton, N.W. Ashcroft, Phys. Rev. A 43 (1991) 3161.
40. Philipp Dufek, Peter Blaha, Karlheinz Schwarz, Phys. Rev. B 50 (1994) 7279.
41. J.E. Bernard, A. Zunger, Phys. Rev. B 36 (1987) 3199.
42. W. Sargent, Table of Periodic Properties of the Elements, Sargent-Welch Scientific, Skokie, IL, 1980.
43. R.A. Swalin, Thermodynamics of Solids, Wiley, New York, 1961.
44. F. El Haj Hassan, A. Breidi, S. Ghemid, B. Amrani, H. Meradji, O. Pages, J. Alloys Compd. 499 (2010) 80.
45. F. El Haj Hassan, H. Akbarzadeh, Mater. Sci. Eng. B 121 (2005) 170.
46. M. Ferhat, F. Bechstedt, Phys. Rev. B 65 (2002) 75213.