Title of article
First-principle calculation on the structural stability of CeAg
Author/Authors
Zhang، نويسنده , , Y.S. and Yao، نويسنده , , K.L. and Liu، نويسنده , , Z.L.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
6
From page
343
To page
348
Abstract
The structural stability of CeAg has been studied by self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). The result shows that the low-temperature phase of CeAg is not a simple tetragonal structure. The degenerate d states at the Fermi level are split because of atomic shifts, which result in the cubic-to-tetragonal transition.
Keywords
A. CeAg , D. Atomic shifts , E. FP_LAPW
Journal title
Solid State Communications
Serial Year
2005
Journal title
Solid State Communications
Record number
1789828
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