Thermodynamic properties of MC (M = V, Nb, Ta): First-principles calculations

Yong Cao; Jingchuan Zhu; Yong Liu; Zhishen Long

doi:10.1142/S0217984913410352

Thermodynamic properties of MC (M = V, Nb, Ta): First-principles calculations

Yong Cao
, Jingchuan Zhu^*
, Yong Liu
, Zhishen Long

^*Corresponding author for this work

Harbin Institute of Technology

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Through the quasi-harmonic Debye model, the pressure and temperature dependences of linear expansion coefficient, bulk modulus, Debye temperature and heat capacity have been investigated. The calculated thermodynamic properties were compared with experimental data and satisfactory agreement is reached.

Original language	English
Article number	1341035
Journal	Modern Physics Letters B
Volume	27
Issue number	19
DOIs	https://doi.org/10.1142/S0217984913410352
State	Published - 30 Jul 2013
Externally published	Yes

Keywords

Debye temperature
Thermodynamic properties
bulk modulus
heat capacity
linear expansion coefficient

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10.1142/S0217984913410352

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title = "Thermodynamic properties of MC (M = V, Nb, Ta): First-principles calculations",

abstract = "Through the quasi-harmonic Debye model, the pressure and temperature dependences of linear expansion coefficient, bulk modulus, Debye temperature and heat capacity have been investigated. The calculated thermodynamic properties were compared with experimental data and satisfactory agreement is reached.",

keywords = "Debye temperature, Thermodynamic properties, bulk modulus, heat capacity, linear expansion coefficient",

author = "Yong Cao and Jingchuan Zhu and Yong Liu and Zhishen Long",

year = "2013",

month = jul,

day = "30",

doi = "10.1142/S0217984913410352",

language = "英语",

volume = "27",

journal = "Modern Physics Letters B",

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TY - JOUR

T1 - Thermodynamic properties of MC (M = V, Nb, Ta)

T2 - First-principles calculations

AU - Cao, Yong

AU - Zhu, Jingchuan

AU - Liu, Yong

AU - Long, Zhishen

PY - 2013/7/30

Y1 - 2013/7/30

N2 - Through the quasi-harmonic Debye model, the pressure and temperature dependences of linear expansion coefficient, bulk modulus, Debye temperature and heat capacity have been investigated. The calculated thermodynamic properties were compared with experimental data and satisfactory agreement is reached.

AB - Through the quasi-harmonic Debye model, the pressure and temperature dependences of linear expansion coefficient, bulk modulus, Debye temperature and heat capacity have been investigated. The calculated thermodynamic properties were compared with experimental data and satisfactory agreement is reached.

KW - Debye temperature

KW - Thermodynamic properties

KW - bulk modulus

KW - heat capacity

KW - linear expansion coefficient

UR - https://www.scopus.com/pages/publications/84880884725

U2 - 10.1142/S0217984913410352

DO - 10.1142/S0217984913410352

M3 - 文章

AN - SCOPUS:84880884725

SN - 0217-9849

VL - 27

JO - Modern Physics Letters B

JF - Modern Physics Letters B

IS - 19

M1 - 1341035

ER -

Thermodynamic properties of MC (M = V, Nb, Ta): First-principles calculations

Abstract

Keywords

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