DFT and modified Becke Johnson (mBJ) potential investigations of the optoelectronic properties of SnGa4Q7 (Q Combining double low line S, Se) compounds: Transparent materials for large energy conversion

Solid State Sciences

Volumn 48, Issue , 2015, Pages 244-250

  Khan, Wilayat ^a   Azam, Sikander ^a   Shah, Fahad Ali ^b   Goumri Said, Souraya ^c,d  

^a UNIVERSITY OF WEST BOHEMIA   (Czech Republic)

^b INTERNATIONAL ISLAMIC UNIVERSITY   (Pakistan)

^c GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^d ALFAISAL UNIVERSITY   (Saudi Arabia)

Author keywords

Chalcogenides; Electronic structure; Energy storage; Optical properties; Semiconductors

Indexed keywords

CHALCOGENIDES; ELECTRONIC STRUCTURE; ENERGY CONVERSION; ENERGY DISSIPATION; ENERGY GAP; ENERGY STORAGE; GALLIUM COMPOUNDS; INORGANIC COMPOUNDS; OPTICAL PROPERTIES; REFRACTIVE INDEX; SEMICONDUCTOR MATERIALS; SOLAR ENERGY; TIN COMPOUNDS; WIDE BAND GAP SEMICONDUCTORS;

ABSORPTION CO-EFFICIENT; CONDUCTION-BAND MINIMUM; DENSITY FUNCTIONAL FORMALISM; ELECTRONIC BAND STRUCTURE; ELECTRONIC CHARGE DENSITY; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; OPTOELECTRONIC PROPERTIES;

SELENIUM COMPOUNDS;

EID: 84940861829     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2015.08.015     Document Type: Article

References (30)

1. R.W. Collins, A.S. Ferlauto, G.M. Ferreira, C. Chen, J. Koh, R.J. Koval, Y. Lee, J.M. Pearce, C.R. Wronski, Sol. Energy Mater. Sol. Cells 78 (2003) 143.
2. T. Saga, NPG Asia Mater. 2 (2010) 96.
3. J.F. Li, W.S. Liu, L.D. Zhao, M. Zhou, NPG Asia Mater. 2 (2010) 152.
4. B.G. Yacobi, Semiconductor Materials: An Introduction to Basic Principles, Springer, 2003, ISBN 0-306-47361-5.
5. U. Opik, M.H.L. Pryce, Proc. R. Soc. Lond. A 238 (1957) 425.
6. R.G. Pearson, J. Am. Chem. Soc. 91 (1969) 4947.
7. Z.Z. Luo, C.S. Lin, H.H. Cui, W.L. Zhang, H. Zhang, Z.Z. He, W.D. Cheng, Chem. Mater 26 (2014) 2743.
8. I. Chung, M.G. Kanatzidis, Chem. Mater 26 (2014) 849.
9. C.D. Morris, I. Chung, S. Park, C.M. Harrison, D.J. Clark, J.I. Jang, M.G. Kanatzidis, J. Am. Chem. Soc. 134 (2012) 20733.
10. P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864.
11. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
12. E. Engel, S.H. Vosko, Phys. Rev. B 47 (1993) 13164.
13. N. Najwa Anua, R. Ahmed, A. Shaari, M.A. Saeed, B. Ul Haq, S. Goumri-Said, Semicond. Sci. Technol. 28 (2014) 105015.
14. J.P. Desclaux, Comp. Phys. Commun. 1 (1970) 216-222.
15. D. D. Koelling, B. N. Harmon, J Phys C Solid State Phys 10(1977) 3107-14.
16. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Hvasnicka, J. Luitz, WIEN2k, an Augmented Plane Wave \+ Local Orbitals Program for Calculating Crystal Properties, Karlheinz Schwarz, Techn. Universit Wien, Austria, 2001.
17. D.M. Ceperley, B.I. Alder, Phys. Rev. Lett. 45 (1980) 566.
18. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
19. E. Engel, S.H. Vosko, Phys. Rev. B 47 (1993) 13164.
20. J.P. Desclaux, Comp. Phys. Commun. 1 (1970) 216-222.
21. D.D. Koelling, B.N. Harmon, J. Phys. C Solid. State. Phys. 10 (1977) 3107.
22. R. Hoffman, Rev. Mod. Phys. 60 (1988) 601.
23. C.D. Gellatt, A.R. Willaims Jr., V.L. Moruzzi, Phys. Rev. B 27 (1983) 2005.
24. Azam Sikander, Ayaz Khan Saleem, Goumri-Said Souraya, Mater. Sci. Semicond. Process. 39 (November 2015) 606-613.
25. T. Babuka, I.V. Kityk, O.V. Parasyuk, G. Myronchuk, O.Y. Khyzhun, A.O. Fedorchuk, M. Makowska-Janusik, J. Alloys Compd. 633 (2015) 415.
26. Kerstin Hummer, Andreas Grüneis, Georg Kresse, Phys. Rev. B75 (2007) 195211.
27. W. Khan, S. Goumri-Said, RSC Adv. 5 (2015) 9455.
28. S. Azam, S.A. Khan, S. Goumri-Said, J. Solid State Chem. 229 (2015) 260-265.
29. A. Delin, P. Ravindran, O. Eriksson, J.M. Wills, Int. J. Quant. Chem. 69 (1998) 349.
30. H. Tributsch, Z. Naturforsch. 32 (1977) 972.