Title of article
First-principles investigations on elastic properties of - and - Ta4AlC3
Author/Authors
Deng، نويسنده , , X.H. and Fan، نويسنده , , B.B. and Lu، نويسنده , , W.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
4
From page
441
To page
444
Abstract
The plane-wave pseudopotential method in the frame of density functional theory (DFT) is adopted to investigate equation of state (EOS), equilibrium structure and elastic constants of α - and β - Ta4AlC3. The calculated structure parameters are in good agreement with the available experimental and theoretical data. Five independent elastic constants of both structures are calculated. Mechanical anisotropy, Elastic wave velocity and Debye temperature for both structures are finally obtained.
Keywords
D. Elastic constants , D. Equation of state , D. Elastic wave velocity , D. Debye temperature
Journal title
Solid State Communications
Serial Year
2009
Journal title
Solid State Communications
Record number
1764982
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