Bulk modulus and thermodynamic properties of L2₁ Ni₂ XY (X = Mn, Fe, Co, Y = Ga, In) compounds studied by first-principles calculations

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• 作者：W. Peng ; D. H. Zhang ; N. Xu
• 刊名：Journal of Materials Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：52
• 期：2
• 页码：1149-1155
• 全文大小：1,583 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Materials Science
  Characterization and Evaluation Materials
  Polymer Sciences
  Continuum Mechanics and Mechanics of Materials
  Crystallography
  Mechanics
  
• 出版者：Springer Netherlands
• ISSN：1573-4803
• 卷排序：52

文摘

We have calculated the bulk modulus and thermodynamic properties of Ni₂XY (X = Mn, Fe, Co, Y = Ga, In) ferromagnetic shape memory alloys by first-principles density-functional calculations. It is demonstrated that in general, the bulk modulus and Debye temperature of each alloy decrease with temperature and increase with pressure, whereas the thermal expansion coefficient and the heat capacity of each alloy show an opposite trend. With the increasing atomic number of X or the decreasing atomic number of Y element, the bulk modulus and Debye temperature increase, whereas the heat capacity decreases but the thermal expansion coefficient does not make a big change.