Investigation of thermal expansion and compressibility of rare-earth orthovanadates using a dielectric chemical bond method

被引：34

作者：

Zhang, Siyuan ^{[1
]}

Zhou, Shihong ^{[1
]}

Li, Huaiyong ^{[1
,2
]}

Li, Ling ^{[1
,2
]}

机构：

[1] Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China

[2] Chinese Acad Sci, Grad Sch, Changchun 130022, Peoples R China

来源：

INORGANIC CHEMISTRY | 2008年 / 47卷 / 17期

关键词：

D O I：

10.1021/ic800672h

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The chemical bond properties, lattice energies, linear expansion coefficients, and mechanical properties of ReVO4 (Re = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Sc, Y) are investigated systematically by the dielectric chemical bond theory. The calculated results show that the covalencies of Re-O bonds are increasing slightly from La to Lu and that the covalencies of V-O bonds in crystals are decreasing slightly from La to Lu. The linear expansion coefficients decrease progressively from LaVO4 to LuVO4; on the contrary, the bulk moduli increase progressively. Our calculated results are in good agreement with some experimental values for linear expansion coefficients and bulk moduli.

引用

页码：7863 / 7867

页数：5

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