Electronic structure and optical properties of TbNi5-xCux

被引：7

作者：

Nekrasov, I. A. ^{[3
]}

Kokorina, E. E. ^{[3
]}

Galkin, V. A. ^{[1
,3
]}

Kuz'min, Yu. I. ^{[2
]}

Knyazev, Yu. V. ^{[2
]}

Kuchin, A. G. ^{[2
]}

机构：

[1] Ural State Univ, Ekaterinburg 620083, Russia

[2] Inst Met Phys, Ekaterinburg 620990, Russia

[3] Inst Electrophys, Ekaterinburg 620016, Russia

来源：

PHYSICA B-CONDENSED MATTER | 2012年 / 407卷 / 17期

关键词：

Rare-earth compounds; Electronic structure; Optical properties; INTERMETALLIC COMPOUNDS; MAGNETIC-PROPERTIES;

D O I：

10.1016/j.physb.2012.05.034

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In this paper we present theoretical investigation of optical conductivity for intermetallic TbNi5-xCux, series. Within the framework of LSDA+U calculations, electronic structure for x=0, 1, 2 is calculated and additionally optical conductivity is obtained. Disorder effects of Cu for Ni substitution on a level of LSDA+U densities of states (DOS) are taken into account via averaging over all possible Cu ion positions in the unit cell for given doping level x. Gradual smoothing of optical conductivity structure at 2 eV together with simultaneous intensity growth at 4 eV corresponds to increase of Cu and decrease of Ni content. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：3600 / 3603

页数：4

共 17 条

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