Electronic, optical and elastic properties of CuXS2 (X=Al, Ga, In) and AgGaS2 semiconductors from first-principles calculations

Physica Status Solidi (C) Current Topics in Solid State Physics

Volumn 8, Issue 9, 2011, Pages 2582-2584

  Brik, Mikhail G ^a  

^a UNIVERSITY OF TARTU   (Estonia)

Author keywords

Ab initio calculations; Band structure; Optical and elastic properties

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO METHOD; ELASTIC PROPERTIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; MATERIALS STUDIO; TERNARY SEMICONDUCTORS;

CALCULATIONS; COPPER COMPOUNDS; ELASTICITY;

OPTICAL PROPERTIES;

EID: 80052337893     PISSN: 18626351     EISSN: 16101642     Source Type: Journal    
DOI: 10.1002/pssc.201084061     Document Type: Article

References (20)

1. J. L. Shay and J. H. Wernick, Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and Applications (Pergamon, Oxford, 1975).
2. I.-H. Choi, S.-D. Han, S.-H. Eom, W.-H. Lee, and H. C. Lee, J. Kor. Phys. Soc. 29, 377 (1996).
3. S. Levcenko, N. N. Syrbu, V. E. Tezlevan, E. Arushanov, S. Doka-Yamingo, Th. Schedel-Niedrig, and M. Ch. Lux-Steiner, J. Phys.: Condens. Matter 19, 456222 (2007).
4. J. E. Jaffe and A. Zunger, Phys. Rev. B 28, 5822 (1983).
5. S. Laksari, A. Chahed, N. Abbouni, O. Benhelal, and B. Abbar, Comput. Mater. Sci. 38, 223 (2006).
6. M. G. Brik, J. Phys.: Condens. Matter 21, 485502 (2009).
7. M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter 14, 2717 (2002).
8. G. Brandt, A. Rauber, and J. Schneider, Solid State Commun. 12, 481 (1973).
9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
10. Handbook of Optics, 2nd ed., Vol. (McGraw-Hill, NY, 1994) 2.
11. D. S. Chemla, Phys. Rev. Lett. 26, 1441 (1971).
12. M. Zribi, M. Kanzari, and B. Rezig, Mater. Lett. 60, 98 (2006).
13. O. Madelung, U. Rössler, and M. Schulz, Ternary Compounds, Organic Semiconductors, Vol. (Springer, Berlin) 41E.
14. F. D. Murnaghan, Proc. Natl. Acad. Sci. 30, 244 (1944).
15. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, 1954).
16. N. S. Orlova, Cryst. Res. Technol. 33, 1 (1998).
17. J. Lazewski, P. T. Jochym, and K. Parlinski, J. Chem. Phys. 117, 2726 (2002).
18. S. Q. Wang and H. Q. He, Phys. Rev. B 66, 235111 (2002).
19. L. Shi, Y. Duan, and L. Qin, Comput. Mater. Sci. 50, 203 (2010).
20. A. H. Romero, N. Cardona, R. K. Kremer, R. Lauck, G. Siegle, C. Hoch, A. Munoz, and A. Schindler, arXiv: 1102.0819v1 [cond-mat.mtrl-sci].