Structural, electronic and optical properties of SrHfO3 (I4/mcm, Imma, Cmcm, P4/mbm and P4mm) phases

Physica B: Condensed Matter

Volumn 405, Issue 18, 2010, Pages 3862-3868

  Cherrad, D ^a   Maouche, D ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

Author keywords

Electronic structure; Optical properties; Perovskites

Indexed keywords

DIELECTRIC FUNCTIONS; DIRECT BAND GAP; ELECTRON ENERGY LOSS; ENERGY BANDGAPS; FIRST PRINCIPLES METHOD; MILLIKEN; OPTICAL REFLECTIVITY; PLANE WAVE; PROJECTED DENSITY;

BOND LENGTH; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; ENERGY GAP; LOCAL DENSITY APPROXIMATION; OPTICAL CONSTANTS; REFRACTIVE INDEX;

STRUCTURAL PROPERTIES;

EID: 77955473838     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.06.018     Document Type: Article

References (24)

1. Z. Feng Zhenbao Feng, Haiquan Hu, Shouxin Cui, and Chenglin Bai Solid State Commun. 148 2008 472
2. M.P. Jorba, G. Tilloca, and R. Collongues Int. Symp. Magnetohydrodyn. Elec. Power Gen. 3 1964 1185
3. J.P. Schreckenbach, N. Meyer, G. Marx, B.T. Lee, and W.M. Kriven Appl. Surf. Sci. 205 2003 97
4. R. Vali Solid State Commun. 148 2008 29
5. Xiao-Juan Liu, Zhi-Jian Wu, Xian-Feng Hao, Hong-Ping Xiang, and Jian Meng Chem. Phys. Lett. 416 2005 7
6. B.J. Kennedy, C.J. Howard, and B.C. Chakoumakos Phys. Rev. B 60 1999 2972
7. C.J. Howard, and H.T. Stokes Acta Crystallogr. B 54 1998 782
8. Shinsuke Yamanaka, Takuji Maekawa, Hiroaki Muta, Tetsushi Matsuda, Shin-ichi Kobayashi, and Ken Kurosaki J. Alloys Compds 381 2004 295
9. Roberto E. Alonso, Martin Falabella, and Alberto R. Lopez-Garcia Physica B 389 2007 111
10. S.J. Clark, M.D. Segall, C.J. Pickard, P.J. Hasnip, M.J. Probert, K. Refson, and M.C. Payne Z. Kristallogr. 220 2005 567
11. D.M. Ceperley, and B.J. Alder Phys. Rev. Lett. 45 1980 566
12. J.P. Perdew, and A. Zunger Phys. Rev. B 23 1981 5048
13. 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 2002 2717
14. J.D. Pack, and H.J. Monkhorst Phys. Rev B 16 1977 1748
15. T.H. Fischer, and J. Almlof J. Phys. Chem. 96 1992 9768
16. M. Alouani, and J.M. Wills Phys. Rev. B 54 1996 2487
17. A.S. Verma, and V.K. Jindal J. Alloys Compds. 485 2009 514
18. B.J. Kennedy, C.J. Howard, and B.C. Chakoumakos Phys. Rev. B 60 1999 2972
19. Liu Xu, Lu Wencong, Peng Chunrong, Su Qiang, and Guo Jin Comp. Mat. Sci. 46 2009 860
20. M.D. Segall, C.J. Pickard, R. Shah, and M.C. Payne Mol. Phys. 89 1996 571
21. M.D. Segall, R. Shah, C.J. Pickard, and M.C. Payne Phys. Rev. B 54 1996 16317
22. Hongsheng Zhao, AiminChang, and Yunlan Wang Physica B 404 2009 2192
23. N.V. Smith Phys. Rev. B 3 1971 1862
24. M. Fox Optical Properties of Solids 1972 Academic Press New York