INFERRED PHYSICAL-PROPERTIES OF UT2SI2 (T=RU, RH, PD) FROM SPIN-DENSITY FUNCTIONAL CALCULATIONS

被引：19
|
作者：
SANDRATSKII, LM
KUBLER, J
机构：
[1] Institut für Festkörperphysik, Technishce Hocschule
来源：
SOLID STATE COMMUNICATIONS | 1994年 / 91卷 / 03期
关键词：
D O I：
10.1016/0038-1098(94)90219-4
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The electronic structure of URU2Si2, URh2Si2 and UPd2Si2 is determined by means of selfconsistent density-functional calculations in the local approximation treating the U 5f states as band states. A pronounced trend in the hybridization strength is exposed and is claimed to give rise to the different magnetic properties of these compounds. Thus we found that strong hybridization of the U 5f and Ru 4d states causes URU2Si2 to be very close to a nonmagnetic-magnetic instability. The densities of states are calculated and are seen to compare well with results of photoemission experiments.
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页码：183 / 186
页数：4
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