CALCULATED ELECTRONIC AND MAGNETIC-STRUCTURE OF UNI2AL3 AND UPD2AL3

被引：26
作者：
STICHT, J
KUBLER, J
机构：
[1] Institut für Festkörperphysik, Technische Hochschule, Darmstadt, W-6100
来源：
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER | 1992年 / 87卷 / 03期
关键词：
D O I：
10.1007/BF01309283
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The electronic band structure of UNi2Al3 and UPd2Al3 is calculated in the local spin-density functional approximation using the self-consistent scalar relativistic ASW-method including spin-orbit coupling. The chemical bond is discussed qualitatively and an explanation is given for the small observed magnetic moments of U in terms of nearly compensating spin and orbital moments. Calculated total energies are used to discuss a number of possible ground state magnetic-moment configurations.
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页码：299 / 304
页数：6
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