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作者:

Sun, Fei (Sun, Fei.) | Zhang, Jianxin (Zhang, Jianxin.) | Mao, Shengcheng (Mao, Shengcheng.) (学者:毛圣成) | Han, Xiaodong (Han, Xiaodong.) (学者:韩晓东)

收录:

EI Scopus SCIE

摘要:

The optimized structures, electronic properties and bonding characteristics of the hexagonal C14 Laves phase XCr2 (X=Ti, Zr, Nb, Hf and Ta) have been investigated using first-principles calculations. Our results reveal that the equilibrium formation enthalpies are not depends entirely on the atomic numbers. The total and the partial density of states and valence charge densities of Laves phases are also calculated and applied to reveal the nature of the bonding character in consideration of the different atomic numbers.

关键词:

electronic density of states electronic structure first-principles calculations Laves phase

作者机构:

  • [ 1 ] [Sun, Fei]Shandong Univ, Minist Educ, Key Lab Liquid Struct & Hered Mat, Jinan 250061, Peoples R China
  • [ 2 ] [Zhang, Jianxin]Shandong Univ, Minist Educ, Key Lab Liquid Struct & Hered Mat, Jinan 250061, Peoples R China
  • [ 3 ] [Mao, Shengcheng]Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China
  • [ 4 ] [Han, Xiaodong]Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China

通讯作者信息:

  • [Zhang, Jianxin]Shandong Univ, Minist Educ, Key Lab Liquid Struct & Hered Mat, Jinan 250061, Peoples R China

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来源 :

PHILOSOPHICAL MAGAZINE

ISSN: 1478-6435

年份: 2013

期: 19

卷: 93

页码: 2563-2575

1 . 6 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

ESI高被引阀值:263

JCR分区:1

中科院分区:2

被引次数:

WoS核心集被引频次: 8

SCOPUS被引频次: 11

ESI高被引论文在榜: 0 展开所有

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中文被引频次:

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