Structure and bonding of M2SbP (M=Ti,Zr,Hf) -: art. no. 092102

被引：26
|
作者：
Music, D [1 ]
Sun, ZM [1 ]
Schneider, JM [1 ]
机构：
[1] Rhein Westfal TH Aachen, D-52074 Aachen, Germany
来源：
PHYSICAL REVIEW B | 2005年 / 71卷 / 09期
关键词：
D O I：
10.1103/PhysRevB.71.092102
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Using ab initio calculations, we have studied the chemical bonding and elastic properties Of M2SbP (space group P6(3)/MMC, prototype Cr2AlC), where M=Ti, Zr, and Hf. The bonding is of covalent-ionic nature with the presence of metallic character. These compounds exhibit nanolaminated structure where MP layers are interleaved with Sb. While the structure is identical, both the bonding and the elastic properties of these phosphides are similar to the so-called MAX phases [M. W. Barsoum, Prog. Solid State Chem. 28, 201 (2000)].
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