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Relationship between the gyromagnetic anisotropy and tetragonal distortion for d1 ions in octahedral clusters
Spectroscopy Letters ( IF 1.7 ) Pub Date : 2021-02-27 , DOI: 10.1080/00387010.2021.1883672
Yang Mei 1, 2 , Wen-Chen Zheng 3
Affiliation  

Abstract

The gyromagnetic (g) factors of vanadium (IV) (V4+) tetragonally-distorted octahedra in ‘bulk’ (where g-anisotropy Δg = g//g>0) and surface (where Δg < 0) of metal oxides are studied from complete diagonalization method and perturbation theory method. The calculated g factors for small and large tetragonal distortions agree with the observed values of V4+ in ‘bulk’ and surface of metal oxides, respectively. So the sign of Δg for d1 octahedra depend upon the magnitude of tetragonal distortion rather than the ground state as in the complementary d9 octahedral clusters. Similar case can also be found for d9 ions in tetragonally-distorted tetrahedral clusters.



中文翻译:

八面体簇中d1离子的旋磁各向异性与四方畸变的关系

摘要

旋磁(钒(IV)(V)的因素4+在'批量')四方晶失真八面体(其中-anisotropyΔ = 克// - > 0)和表面(其中,Δ <0)从完全对角化法和微扰理论法研究了金属氧化物的合成。计算出的小和大四边形畸变的g因子分别与金属氧化物“体”和表面中V 4+的观测值相符。这样的Δ符号d 1八面体取决于四角形畸变的大小,而不是像互补的d 9八面体簇中的基态。对于四方扭曲的四面体簇中的d 9离子,也可以找到类似的情况。

更新日期:2021-03-25
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