Structure and bonding of M 2SbP (M=Ti,Zr,Hf)

Denis Music; Zhimei Sun; Jochen M. Schneider

doi:10.1103/PhysRevB.71.092102

Structure and bonding of M ₂SbP (M=Ti,Zr,Hf)

Denis Music^*
, Zhimei Sun
, Jochen M. Schneider

^*此作品的通讯作者

RWTH Aachen University

科研成果: 期刊稿件 › 文章 › 同行评审

38 引用（Scopus）

摘要

Using ab initio calculations, we have studied the chemical bonding and elastic properties of M ₂SbP (space group P6 ₃/mmc, prototype Cr ₂AlC), 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)].

源语言	英语
文章编号	092102
期刊	Physical Review B - Condensed Matter and Materials Physics
卷	71
期	9
DOI	https://doi.org/10.1103/PhysRevB.71.092102
出版状态	已出版 - 1 3月 2005
已对外发布	是

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10.1103/PhysRevB.71.092102

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abstract = "Using ab initio calculations, we have studied the chemical bonding and elastic properties of M 2SbP (space group P6 3/mmc, prototype Cr 2AlC), 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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AU - Music, Denis

AU - Sun, Zhimei

AU - Schneider, Jochen M.

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N2 - Using ab initio calculations, we have studied the chemical bonding and elastic properties of M 2SbP (space group P6 3/mmc, prototype Cr 2AlC), 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)].

AB - Using ab initio calculations, we have studied the chemical bonding and elastic properties of M 2SbP (space group P6 3/mmc, prototype Cr 2AlC), 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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M3 - 文章

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JO - Physical Review B - Condensed Matter and Materials Physics

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M1 - 092102

ER -

Structure and bonding of M 2SbP (M=Ti,Zr,Hf)

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Structure and bonding of M ₂SbP (M=Ti,Zr,Hf)