Rigid unit modes and the negative thermal expansion in ZrW2O8

被引：71

作者：

Pryde, AKA

Hammonds, KD

Dove, MT

Heine, V

Gale, JD

Warren, MC

机构：

[1] UNIV CAMBRIDGE,DEPT EARTH SCI,CAMBRIDGE CB2 3EQ,ENGLAND

[2] UNIV CAMBRIDGE,CAVENDISH LAB,CAMBRIDGE CB3 0HE,ENGLAND

[3] UNIV LONDON IMPERIAL COLL SCI TECHNOL & MED,DEPT CHEM,LONDON SW7 2AY,ENGLAND

[4] UNIV EDINBURGH,DEPT PHYS & ASTRON,EDINBURGH EH9 3JZ,MIDLOTHIAN,SCOTLAND

来源：

PHASE TRANSITIONS | 1997年 / 61卷 / 1-4期

基金：

英国自然环境研究理事会; 英国工程与自然科学研究理事会;

关键词：

rigid unit modes; negative thermal expansion; zirconium tungstate; ZrW2O8;

D O I：

10.1080/01411599708223734

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

ZrW2O8 has a negative coefficient of thermal expansion from 0.3 K to its decomposition temperature around 1050K. The negative thermal expansion is isotropic and is not disrupted by the structural phase transition at 430 K. A complicated distribution in reciprocal space of Rigid Unit Mode (RUM) phonons has been found for ZrW2O8 using Lattice Dynamics. The RUMs are very low energy phonons which cause collective rotations of ZrO6 octahedra and WO4 tetrahedra within the crystal structure. These distortions enable ZrW2O8 to contract upon heating.

引用

页码：141 / 153

页数：13

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