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Chinese Academy of Sciences Institutional Repositories Grid
Structural and thermodynamic properties of MgB2 from first-principles calculations

文献类型:期刊论文

作者H. Z. Guo ; X. R. Chen ; L. C. Cai ; J. Zhu ; J. Gao
刊名Solid State Communications
出版日期2005
卷号134期号:12页码:787-790
关键词MgB2 equation of states local density approximation superconducting mgb2 mechanical-behavior
ISSN号0038-1098
中文摘要A first-principles' plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter (HGH) scheme in the frame of local density approximation is performed to calculate the lattice parameters and the equation of states (EOS) of superconducting MgB2. Our calculations show that the ratio c/a of about 1.134 is the most stable structure for MgB2, as is consistent with experiment and other theoretical results. Also, the isothermal and isobaric properties are discussed from energy-volume curves using a quasi-harmonic Debey model. (c) 2005 Elsevier Ltd. All rights reserved.
原文出处://WOS:000229726500001
公开日期2012-04-14
源URL[http://ir.imr.ac.cn/handle/321006/34854]  
专题金属研究所_中国科学院金属研究所
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H. Z. Guo,X. R. Chen,L. C. Cai,et al. Structural and thermodynamic properties of MgB2 from first-principles calculations[J]. Solid State Communications,2005,134(12):787-790.
APA H. Z. Guo,X. R. Chen,L. C. Cai,J. Zhu,&J. Gao.(2005).Structural and thermodynamic properties of MgB2 from first-principles calculations.Solid State Communications,134(12),787-790.
MLA H. Z. Guo,et al."Structural and thermodynamic properties of MgB2 from first-principles calculations".Solid State Communications 134.12(2005):787-790.

入库方式: OAI收割

来源:金属研究所

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