The new intermetallic compound Ga5Pt:Structure from a twinned crystal

被引:6
|
作者
Tillard, Monique [1 ]
Belin, Claude [1 ]
机构
[1] Univ Montpellier 2, Inst Charles Gerhardt, UMR CNRS UM2 5253, CC1502, F-34095 Montpellier, France
关键词
Intermetallics; miscellaneous; Ab-initio calculations; Diffraction (X-ray); Twinning; Electronic structure of metals and alloys; VERWANDTER LEGIERUNGEN; PLATINUM-GALLIUM; ZUM AUFBAU; ALUMINUM;
D O I
10.1016/j.intermet.2010.11.031
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
As intermetallic Pt-Ga alloys may form at the metal-semiconductor interfaces (Pt/GaAs) in electronic devices, their crystal structures are of interest. Ga7Pt3 has been prepared and its structure confirmed from single crystal X-ray diffraction in the Im (3) over barn cubic space group with a cell parameter of 8.78604(8) angstrom. For the new Ga-richer compound Ga5Pt, the crystal structure has been solved from a twinned crystal in the monoclinic P2(1)/m space group, a = 6.3977(3), b = 15.8823(5), c = 8.8326(4) angstrom, beta = 110.198(5)degrees, Z = 16. Bonding in Ga5Pt proceeds through Ga-Ga and Ga-Pt bonds while Pt dumbbells (Pt-Pt = 2.776 angstrom) are found in Ga7Pt3. The electronic structures calculated by DFT methods indicate metallic properties for both compounds. (C) 2010 Elsevier Ltd. All rights reserved.
引用
收藏
页码:518 / 525
页数:8
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