Electronic Properties of MoSi2-Type Hf2X Intermetallic Compounds (X=Pd, Ag, Cd)

被引：0
|
作者：
I. Yaar
S. MayTal-Beck
Z. Berant
机构：
[1] Nuclear Research Center-Negev,
来源：
Hyperfine Interactions | 2001年 / 136-137卷
关键词：
TDPAC; LAPW; WIEN97;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The Hf z coordinate and the value of the electric field gradient (efg) main component (Vzz), were calculated for three Hf2X compounds (X = Pd, Ag, Cd) on a first-principle basis, using the full potential linear augmented plane wave (LAPW) method. Exchange and correlation effects were treated either by the local spine density approximation (LSDA) or by the more advanced generalized gradient approximation (GGA). The calculated Vzz values, in the Hf site, were in very good agreement with available 181Hf TDPAC experimental results.
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页码：777 / 781
页数：4
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