Electronic structure and electric field gradient of RIn3 and RTIn5 (R=La and Ce, T= Co, Rh and Ir)
Electronic structure and electric field gradient of RIn3 and RTIn5 (R=La and Ce, T= Co, Rh and Ir)
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DOI：
10.1016/j.jmmm.2003.11.194
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发表时间：
2004-05
影响因子：
2.7
通讯作者：
K. Betsuyaku;H. Harima
中科院分区：
文献类型：
--
作者：
K. Betsuyaku;H. Harima
用FLAPW方法计算了RIn 3和RTIn 5（R=La和Ce，T=Co，Rh和Ir）的电子结构.给出了CeIn_3在高压下的费米面和上述化合物的电场梯度。对RIn 3的计算结果表明，LaIn 3和CeIn 3的In核附近电子密度分布具有相似性. RTIn5的这些可以解释反映T位点转变的趋势。
The electronic structures for RIn3and RTIn5(R=La and Ce, T=Co, Rh and Ir) are clarified by calculations based on the FLAPW method. A Fermi surface of CeIn3under high pressure and the electric field gradients for the above compounds are presented. The results for RIn3indicate the similarity of electron density distributions near In nuclei between LaIn3and CeIn3. Those for RTIn5could explain the trend reflecting the transition at the T-site.