EXPERIMENTAL AND THEORETICAL BAND-STRUCTURE OF THE LAYER COMPOUND ZRSITE

Citation
W. Bensch et al., EXPERIMENTAL AND THEORETICAL BAND-STRUCTURE OF THE LAYER COMPOUND ZRSITE, Journal of physical chemistry, 99(10), 1995, pp. 3326-3330
Citations number
30
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
99
Issue
10
Year of publication
1995
Pages
3326 - 3330
Database
ISI
SICI code
0022-3654(1995)99:10<3326:EATBOT>2.0.ZU;2-O
Abstract
The ternary compound ZrSiTe is a metal with the majority of the emissi on 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 ch emical shifts of the core levels are indicative of only small charges on the different atoms. The calculation of the experimental bandstruct ure supports the conclusions drawn from the experimental valence band spectra. In addition, the results exhibit that the bonding interaction s are strong within the layers and only weak perpendicular to the laye rs. Hence, the material is not a ''true'' two-dimensional layer compou nd, but it is rather weakly three dimensional.