EXPERIMENTAL AND THEORETICAL BAND-STRUCTURE OF THE LAYER COMPOUND ZRSITE

被引:36
作者
BENSCH, W
HELMER, O
MUHLER, M
EBERT, H
KNECHT, M
机构
[1] FRITZ HABER INST,D-14195 BERLIN,GERMANY
[2] UNIV FRANKFURT,INST INORGAN CHEM,D-60439 FRANKFURT,GERMANY
[3] UNIV MUNICH,INST PHYS CHEM,D-80333 MUNICH,GERMANY
关键词
D O I
10.1021/j100010a050
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The ternary compound ZrSiTe is a metal with the majority of the emission at the Fermi level due to Zr d-states. It is noteworthy that Si as wen as Te states significantly contribute to the DOS at E(F). Small chemical shifts of the core levels are indicative of only small charges on the different atoms. The calculation of the experimental bandstructure supports the conclusions drawn from the experimental valence band spectra. In addition, the results exhibit that the bonding interactions are strong within the layers and only weak perpendicular to the layers. Hence, the material is not a ''true'' two-dimensional layer compound, but it is rather weakly three dimensional.
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收藏
页码:3326 / 3330
页数:5
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