Pressure-induced phase transition in ErH3

被引：12

作者：

Araújo, CM

da Silva, AF

Ahuja, R

机构：

[1] Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

[2] Univ Fed Bahia, Inst Fis, BR-40210340 Salvador, BA, Brazil

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 2004年 / 241卷 / 14期

关键词：

D O I：

10.1002/pssb.200405211

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The pressure-induced structural phase transition in ErH3 is investigated using ab initio calculations. The electronic structure is calculated using the projected augmented wave (PAW) method and the transition pressure is obtained by fitting the energy-volume set to the Murnaghan equation of states. A structural phase transformation has been found accompanied by an insulator-metal transition at 17.0 GPa in good agreement with experimental findings. A similar phase transition is also predicted for GdH3. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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页码：3219 / 3223

页数：5

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