U ternaries with ZrNiAl structure -: lattice properties

被引：49
作者：
Havela, L
Divis, M
Sechovsky, V
Andreev, AV
Honda, F
Oomi, G
Méresse, Y
Heathman, S
机构：
[1] Charles Univ, Dept Elect Struct, Prague 12116 2, Czech Republic
[2] Acad Sci Czech Republ, Inst Phys, Prague 18221 8, Czech Republic
[3] Kumamoto Univ, Dept Mat Sci & Engn, Kumamoto 8608555, Japan
[4] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2001年 / 322卷 / 1-2期
关键词：
transition metal compounds; actinide compounds; electronic band structure; thermal expansion; high pressure;
D O I：
10.1016/S0925-8388(01)01176-8
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The bonding properties of UTX compounds having the hexagonal ZrNiAl-type structure display a pronounced anisotropy. The compressibility and thermal expansion reach values several times higher for the basal plane than along the c-axis. This situation also occurs for the Th-containing counterparts, whereas it is absent in isostructural materials based on rare earths. This phenomenon can be attributed to the participation of the delocalized 5f states in the bonding, leading to compression of the 5f charge towards the basal plane. This scenario has been investigated theoretically by ab-initio band structure calculations performed for URhAl. (C) 2001 Elsevier Science B.V. All rights reserved.
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页码：7 / 13
页数：7
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