Pressure-induced ferroelastic phase transition in LuLiF4 compound

被引：2

作者：

Petrova, A. V. ^{[1
]}

Nedopekin, O. V. ^{[1
]}

Minisini, B. ^{[2
]}

Tayurskii, D. A. ^{[1
,3
]}

机构：

[1] Kazan Fed Univ, Inst Phys, Kazan, Russia

[2] Inst Super Mat & Mecan Avances Mans, Le Mans, France

[3] Kazan Fed Univ, Ctr Quantum Technol, Kazan, Russia

来源：

PHASE TRANSITIONS | 2015年 / 88卷 / 05期

关键词：

phase transitions; ab initio calculations; high pressure; fluorides; LIYF4; YLIF4;

D O I：

10.1080/01411594.2014.1000578

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The behavior of LuLiF [GRAPHICS] sheelite (I4 [GRAPHICS] /a, Z = 4) under hydrostatic pressure was investigated by means of first principles calculations. The ferroelastic phase transition from the tetragonal structure of LuLiF [GRAPHICS] to the fergusonite structure (C12/c1, Z = 4) has been found at 10.5 GPa. It has been determined that this is the second-order phase transition.

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收藏

页码：534 / 539

页数：6

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