Structural, elastic, electronic and optical properties of the cubic perovskites CaXO3 (X = Hf and Sn)

Solid State Communications

Volumn 150, Issue 7-8, 2010, Pages 350-355

  Cherrad, D ^a   Maouche, D ^a   Reffas, M ^a   Benamrani, A ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

Author keywords

A. Perovskites; D. Elastic moduli; D. Electronic structure; D. Optical properties

Indexed keywords

A. PEROVSKITES; BONDING PROPERTY; CUBIC PEROVSKITE; D. ELASTIC MODULI; D. ELECTRONIC STRUCTURE; D. OPTICAL PROPERTIES; DIELECTRIC FUNCTIONS; ELECTRON ENERGY LOSS; ENERGY BANDGAPS; FINITE STRAIN; FIRST PRINCIPLES METHOD; GOOD CORRELATIONS; IONIC NATURE; MILLIKEN; MONOCRYSTALLINE; OPTICAL REFLECTIVITY; PLANE-WAVE PSEUDO-POTENTIAL; POLYCRYSTALLINE; PRESSURE DEPENDENCE; PROJECTED DENSITY; YOUNG'S MODULUS;

BAND STRUCTURE; BOND LENGTH; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; HAFNIUM; LATTICE CONSTANTS; LOCAL DENSITY APPROXIMATION; OPTICAL CONSTANTS; ORGANIC POLYMERS; PEROVSKITE; REFRACTIVE INDEX; STRUCTURAL PROPERTIES; TIN;

ELASTIC MODULI;

EID: 75749136479     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.11.048     Document Type: Article

References (31)

1. Feng Z., Hu H., Cui S., and Bai C. Solid State Commun. 148 (2008) 472-475
2. Bednorz J.G., and Muller K.A. Phys. Rev. Lett. 52 (1984) 2289
3. Samantaray C.B., Sim H., and Hwang H. Microelectron. J. 36 (2005) 725
4. Bouhemadou A., Djabi F., and Khenata R. Phy. Lett. A 372 (2008) 4527-4531
5. Liu X.-J., Wu Z.-J., Hao X.-F., Xiang H.-P., and Meng J. Chem. Phys. Lett. 416 (2005) 7-13
6. Wu B., Zinkevich M., Aldinger F., and Zhang W. J. Phy. Chem. Solids 68 (2007) 570-575
7. Ji Y.M., Jiang D.Y., Wu Z.H., Feng T., and Shi J.L. Mater. Res. Bull. 40 (2005) 1521
8. Clark S.J., Segall M.D., Pickard C.J., Hasnip P.J., Probert M.J., Refson K., and Payne M.C. Z. Kristallogr. 220 (2005) 567
9. Ceperley D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566-569
10. Perdew J.P., and Zunger A. Phys. Rev. B 23 (1981) 5048-5079
11. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasnip P.J., Clark S.J., and Payne M.C. J. Phys: Condens. Matter. 14 (2002) 2717
12. Pack J.D., and Monkhorst H.J. Phys. Rev. B. 16 (1977) 1748
13. Fischer T.H., and Almlof J. J. Phys. Chem. 96 (1992) 9768
14. Alouani M., and Wills J.M. Phy. Rev. B 54 (1996) 2487
15. Verma A.S., and Jindal V.K. J. Alloys Compounds 485 (2009) 514-518
16. Nye J.F. Propriétés physiques des matériaux (1961), Dunod
17. Gusev A.A., Zehnder M.M., and Suter U.W. Phys. Rev. B 56 (1996) 1
18. Wang J., Yip S., Phillpot S.R., and Wolf D. Phys. Rev. Lett. 71 (1993) 4182
19. Green D.J. An Introduction to the Mechanical Properties of Ceramics (1998), Cambridge University Press
20. Schreiber E., Anderson O.L., and Soga N. Elastic Constants and their Measurement (1973), McGraw-Hill, New York
21. Pugh S.F. Philos. Mag. 45 (1954) 823
22. Music D., and Schneider J.M. Appl. Phy. Lett. 89 (2006) 1219144
23. Anderson O.L. J. Phys. Chem. Solids 24 (1963) 909
24. Music D., and Schneider J.M. Appl. Phys. Lett. 88 (2006) 031914
25. N.W. Ashcroft, N.D. Mermin, Solid State Physics, Saunders College, Philadelphia, 1976
26. Segall M.D., Pickard C.J., Shah R., and Payne M.C. Mol. Phys. 89 (1996) 571
27. Segall M.D., Shah R., Pickard C.J., and Payne M.C. Phys. Rev. B. 54 (1996) 16317
28. Zhao H., Chang A., and Wang Y. Physica B. 404 (2009) 2192-2196
29. Li C., Wang B., Wang R., Wang H., and Lu X. Physica B 403 (2008) 539-543
30. Smith N.V. Phys. Rev. B 3 (1971) 1862
31. Fox M. Optical Properties of Solids (1972), Academic Press, New York