Pressure-induced shifts of energy levels of alpha-Al2O3:V3+and a complete ligand-field calculation

被引：42

作者：

Ma, DP ^{[1
]}

Ma, XD ^{[1
]}

Chen, JR ^{[1
]}

Liu, YY ^{[1
]}

机构：

[1] ACAD SINICA, INT CTR MAT PHYS, SHENYANG 110015, PEOPLES R CHINA

来源：

PHYSICAL REVIEW B | 1997年 / 56卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.56.1780

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An improvement of ligand-field theory has been developed. Based on our theory of pressure-induced shifts and the diagonalization of the complete energy matrix, the unified calculation of;he whole energy spectrum and g factors of the ground state at normal pressure and their pressure-induced shifts has been carried out. All the calculated results for alpha-Al2O3:V3+ are in very good agreement with a great number of experimental data. It Is found that the distinct differences in magnitude and/or sign for pressure-induced shifts of various levels are immediately determined by characteristic dependencies of levels on the parameters of interactions, and the pressure-induced shifts of levels can provide definite or crucial criteria for the correctness of assignments and calculations of them.

引用

页码：1780 / 1786

页数：7

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