On the electronic structure of HfC, TaC and UC
On the electronic structure of HfC, TaC and UC
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HfC、TaC和UC的电子结构
DOI：
10.1088/0022-3719/12/5/011
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发表时间：
1979
期刊：
影响因子：
--
通讯作者：
A. Neckel
中科院分区：
文献类型：
--
作者：
P. Weinberger;R. Podloucky;C. Mallett;A. Neckel
用相对论KKR方法计算了HFC、TAC和UC的准自洽能带结构。根据单电子态的Kappa式部分电荷和Kappa式的总价电荷讨论了所研究化合物的化学键机理。
Quasi-self-consistent energy band structures are reported for HfC, TaC, and UC using the relativistic KKR method. The mechanism of chemical bonding for the compounds under investigation is discussed on the basis of kappa -like partial charges for one-electron states and kappa -like total valence charges.