Elastic properties of MgCNi3 -: a superconducting perovskite

被引：174
作者：
Vaitheeswaran, G.
Kanchana, V.
Svane, A.
Delin, A.
机构：
[1] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany
[2] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden
[3] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2007年 / 19卷 / 32期
关键词：
D O I：
10.1088/0953-8984/19/32/326214
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The cohesive and elastic properties of the non-oxide perovskite type superconductor MgCNi3 are calculated using the full-potential linear muffin-tin orbital method with the local density approximation as well as the generalized gradient approximation for exchange and correlation. The calculated equation of state and ground state properties ( equilibrium lattice constant, bulk modulus and its pressure derivative) agree well with recent experiments. From the elastic constants the Young's modulus, shear modulus, Poisson's ratio, sound velocities and Debye temperature are obtained. By analysing the ratio between bulk modulus and shear modulus we conclude that MgCNi3 is intermediate between brittle and ductile in nature.
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页数：6
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