THE ELECTRONIC-PROPERTIES OF (METHYL(X)GUANIDINIUM)[NI(DMIT)(2)](2) -A 2-ORBITAL TIGHT-BINDING ANALYSIS

Authors
PAULUS PM BROM HB VELDHUIZEN YSJ MAASKANT WJA
Citation
Pm. Paulus et al., THE ELECTRONIC-PROPERTIES OF (METHYL(X)GUANIDINIUM)[NI(DMIT)(2)](2) -A 2-ORBITAL TIGHT-BINDING ANALYSIS, Solid state communications, 97(9), 1996, pp. 737-740
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
Journal title
Solid state communications → ACNP
ISSN journal
00381098
Volume
97
Issue
9
Year of publication
1996
Pages
737 - 740
Database
ISI
SICI code
0038-1098(1996)97:9<737:TEO(->2.0.ZU;2-R
Abstract
The influence of the cation on the electronic properties of coordinati on compounds with Ni(dmit)(2) anions has been studied in the new serie s (Me(x) Gua)[Ni(dmit)(2)](2), where x = 0,2,4,6. In the tight-binding analysis a two-orbital approach appears to be essential. The HOMO's o f the neutral molecules give the conduction bands. On-site Coulomb rep ulsion has to he included to explain the observed semiconducting behav iour.