Experimental and theoretical investigation of the electronic structure of transition metal sulphides:: CuS, FeS2 and FeCuS2

被引：52

作者：

Kurmaev, EZ

van Ek, J

Ederer, DL

Zhou, L

Callcott, TA

Perera, RCC

Cherkashenko, VM

Shamin, SN

Trofimova, VA

Bartkowski, S

Neumann, M

Fujimori, A

Moloshag, VP

机构：

[1] Russian Acad Sci, Inst Phys Met, Ural Div, Yekaterinburg 620219, Russia

[2] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA

[3] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA

[4] Lawrence Berkeley Lab, Berkeley, CA 94720 USA

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

[6] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 113, Japan

[7] Russian Acad Sci, Inst Geol & Geochem, Ural Div, Yekaterinburg 620151, Russia

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 07期

关键词：

D O I：

10.1088/0953-8984/10/7/016

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Results of measurements of sulphur L-2,L-3 x-ray emission spectra of CuS and FeS2, excited by synchrotron radiation near the sulphur 2p threshold, are presented. An excitation energy dependence of the sulphur L-2,L-3 XES is only observed for CuS, and is attributed to the presence of inequivalent sulphur atoms in CuS. Two thirds of the sulphur atoms form S-2 dimers (as in FeS2) while the remaining ones are single (as in CuFeS2). This conclusion is confirmed by XPS measurements and LMTO band structure calculations for CuS, FeS2 and CuFeS2. It is shown that selective excitation of x-ray emission valence spectra can be used to determine the atom-decomposed partial density of states for inequivalent sites in solids, occupied by chemically identical species.

引用

页码：1687 / 1697

页数：11

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