| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Structural, Electronic and Elastic Properties of Cubic Perovskites SrSnO3 and SrZrO3 under Hydrostatic Pressure Effect |
SHI Li-Wei, DUAN Yi-Feng, YANG Xian-Qing, QIN Li-Xia |
| Department of Physics, School of Sciences, China University of Mining and Technology, Xuzhou 221116 |
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| Cite this article: |
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SHI Li-Wei, DUAN Yi-Feng, YANG Xian-Qing et al 2010 Chin. Phys. Lett. 27 096201 |
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Abstract Using the plane-wave pesudopotential (PWPP) method within the generalized gradient approximation (GGA), we investigate the hydrostatic pressure induced effect on the structural, electronic and elastic properties of cubic perovskites SrSnO3 and SrZrO3. The pressure dependence of the lattice constants, some indirect and direct band gaps, the upper valence bandwidths, the elastic stiffness constants and the aggregate elastic moduli, as well as the Debye temperature are investigated. Our calculated ground-state results are in good agreement with the available experimental and theoretical data.
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| Keywords:
62.20.Dc
62.50.+p
71.20.Be
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Received: 02 July 2010
Published: 25 August 2010
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[1] Shende R V et al 2001 J. Am. Ceram. Soc. 84 1648
[2] Kurita N et al 1994 J. Jpn. Inst. Met. 58 782
[3] Yajima T et al 1995 Solid State Ionics 79 333
[4] Iwahara H et al 1993 J. Eletrochem. Soc. 140 1687
[5] Mete E et al 2003 Phys. Rev. B 68 035119
[6] Bannikov V V et al 2008 J. Magn. Magn. Mater. 320 936
[7] Feng Z et al 2008 Solid State Commun. 148 472
[8] Sinha M M and Sharma A 2009 Physica B 404 1187
[9] Shein I R et al 2008 Solid State Sci. 10 217
[10] Ghebouli B et al 2009 Solid State Commun. 149 2244
[11] Shein I R et al 2007 J. Nuclear Mater. 361 69
[12] Parkash O et al 1994 J. Mater. Sci. Lett. 13 1616
[13] Udawatte C P et al 2000 Solid State Ionics 128 217
[14] Kennedy B J et al 1999 Phys. Rev. B 59 4023
[15] deLigny D and Richet P 1996 Phys. Rev. B 53 3013
[16] Perdew J P et al 1996 Phys. Rev. Lett. 77 3865
[17] Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
[18] Hill R 1952 Proc. Phys. Soc. A 65 349
[19] Robertson J et al 2006 Thin Solid Films 496 1
[20] Sin'ko G V et al 2002 J. Phys. Condens. Matter. 14 6989
[21] Pugh S F 1954 Phil. Mag. 45 823
[22] Frantsevich I N, Voronov F F and Bokuta S A 1983 Elastic Constants and Elastic Moduli of Metals and Insulators Handbook ed Frantsevich I N (Kiev: Naukova Dumka) p 60
[23] Anderson O L 1963 J. Phys. Chen. Solid. 24 909
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