POSSIBILITY OF LI-MG AND AL-MG HYDRIDES BEING METALLIC

被引：31

作者：

PFROMMER, B

ELSASSER, C

FAHNLE, M

机构：

[1] Institut für Physik, Max-Planck-Institut für Metallforschung, D-70569 Stuttgart

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.50.5089

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Within the framework of the local-density approximation and the ab initio pseudopotential theory, it is shown that alloying of MgH2 with Li or Al may be described in terms of the rigid-band model. Metallization of insulating MgH2 upon doping with Li or Al should therefore be possible. Doping with Li appears to be more favorable both from a thermodynamic point of view as well as from the objective of obtaining a high density of states at the Fermi level.

引用

页码：5089 / 5093

页数：5

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