Origin of the complex crystal structures of elements at intermediate pressure

被引:48
作者
Ackland, GJ
Macleod, IR
机构
[1] Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland
[2] Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland
来源
NEW JOURNAL OF PHYSICS | 2004年 / 6卷
关键词
D O I
10.1088/1367-2630/6/1/138
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a unifying theory for the observed complex structures of sp-bonded elements under pressure on the basis of nearly free electron picture. In the intermediate pressure regime, the dominant contribution to crystal structure arises from Fermi-surface Brillouin zone interactions-structures which allow this are favoured. This simple theory explains the observed crystal structures, transport properties and the evolution of internal and unit cell parameters with pressure and appears to hold for elements in groups I-VI. We illustrate it with experimental data for these elements and ab initio calculations for Li.
引用
收藏
页码:1 / 10
页数:10
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