Chemical bond and hybridization in nickel compounds

被引：1

作者：

Pollini, I

机构：

[1] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy

[2] Univ Milan, Ist Nazl Fis Mat, I-20133 Milan, Italy

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.65.045107

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

By means of ultraviolet reflectance and valence band photoemission one can get a scale of ionicity for nickel halides. The fraction of ionic-character of the chemical bond, from 0.72 in NiI2 to 0.80 in NiCl2, evaluated with the Phillips theory has been related to the ground state d electron counts (n(dn)) calculated from Ni2p core photoemission. While the chemical trends of cluster model parameters are in general well reproduced, a systematic discrepancy in band gap values (2-3 eV) has been found by comparing core-level results with optical and photoconductivity data.

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页码：1 / 5

页数：5

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