Electronic structure of FeCr2S4 and Fe0.5Cu0.5Cr2S4

被引：22

作者：

Kurmaev, EZ

Postnikov, AV

Palmer, HM ^{[1
]}

Greaves, C

Bartkowski, S

Tsurkan, V

Demeter, M

Hartmann, D

Neumann, M

Zatsepin, DA

Galakhov, VR

Shamin, SN

Trofimova, V

机构：

[1] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England

[2] Russian Acad Sci, Inst Met Phys, Ural Div, Yekaterinburgh 620219, Russia

[3] Univ Osnabruck, Fachbereich Phys, D-49069 Osnabruck, Germany

[4] Moldavian Acad Sci, Inst Appl Phys, MD-2028 Kishinev, Moldova

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2000年 / 12卷 / 25期

关键词：

D O I：

10.1088/0953-8984/12/25/306

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A full study of the electronic structures of FeCr2S4 and Fe0.5Cu0.5Cr2S4 is reported based on x-ray photoelectron spectra (valence band and core levels), x-ray emission spectra (Fe L alpha, Cu L alpha, Cr L alpha, S K beta(1.3) and S L-2.3) and ab initio TB-LMTO band structure calculations. In the valence band of FeCr2S4, the Fe 3d states are found to be more localized than the Cr 3d states, which dominate at the Fermi level. In Fe0.5Cu0.5Cr2S4, the distribution of Cr 3d (Cr3+) states is unchanged and the Cu ions were found to be in the Cu+ state.

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页码：5411 / 5421

页数：11

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