Structural, phonon and thermodynamic properties of fcc-based metal nitrides from first-principles calculations (English)
- New search for: Wang, Aijun
- New search for: Shang, ShunLi
- New search for: Zhao, Dongdong
- New search for: Wang, Jiong
- New search for: Chen, Li
- New search for: Du, Yong
- New search for: Liu, Zi-Kui
- New search for: Xu, Tao
- New search for: Wang, Shequan
- New search for: Wang, Aijun
- New search for: Shang, ShunLi
- New search for: Zhao, Dongdong
- New search for: Wang, Jiong
- New search for: Chen, Li
- New search for: Du, Yong
- New search for: Liu, Zi-Kui
- New search for: Xu, Tao
- New search for: Wang, Shequan
In:
Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
;
37
;
126-131
;
2012
-
ISSN:
- Article (Journal) / Electronic Resource
-
Title:Structural, phonon and thermodynamic properties of fcc-based metal nitrides from first-principles calculations
-
Contributors:Wang, Aijun ( author ) / Shang, ShunLi ( author ) / Zhao, Dongdong ( author ) / Wang, Jiong ( author ) / Chen, Li ( author ) / Du, Yong ( author ) / Liu, Zi-Kui ( author ) / Xu, Tao ( author ) / Wang, Shequan ( author )
-
Published in:
-
Publisher:
- New search for: Elsevier Ltd
-
Publication date:2012-02-28
-
Size:6 pages
-
ISSN:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 37
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
-
Experimental study and thermodynamic optimization of the CaO–NiO, MgO–NiO and NiO–SiO2 systemsProstakova, Viktoria / Chen, Jiang / Jak, Evgueni / Decterov, Sergei A. et al. | 2011
- 11
-
Heat capacity of stoichiometric Al2MnO4 spinel between 2 and 873 KNavarro, R.C.S. / Gomez, A.M.S. / de Avillez, R.R. et al. | 2011
- 18
-
Thermodynamic modeling of the Ge–Sc system supported by key experiments and first-principles calculationCheng, Kaiming / Hu, Biao / Du, Yong / Xu, Honghui / Gao, Qiannan et al. | 2011
- 25
-
An Ab-initio assessment of thermo-elastic properties of CaCO3 polymorphs: Calcite caseUngureanu, Crina Georgeta / Cossio, Roberto / Prencipe, Mauro et al. | 2011
- 34
-
Is zinc HCP_ZN or HCP_A3?Schmid-Fetzer, Rainer / Hallstedt, Bengt et al. | 2012
- 37
-
Extension of SGTE data for pure elements to zero Kelvin temperature—A case studyVřešt’ál, Jan / Štrof, Jan / Pavlů, Jana et al. | 2012
- 49
-
Atomic mobilities, diffusivities and their kinetic implications for U– (, Nb and Mo) bcc alloysLiu, Yajun et al. | 2012
- 49
-
Atomic mobilities, diffusivities and their kinetic implications for U– (, Nb and Mo) bcc alloysLiu, Yajun / Yu, Di / Du, Yong / Sheng, Guang / Long, Zhaohui / Wang, Jiang / Zhang, Lijun et al. | 2012
- 57
-
Diffusion mobilities in the fcc Ag–Cu and Ag–Pd alloysWang, C.P. / Yan, L.N. / Han, J.J. / Liu, X.J. et al. | 2012
- 65
-
Overall composition dependences of coherent equilibriaChen, Sicheng / Li, Changrong / Du, Zhenmin / Guo, Cuiping / Niu, Chunju et al. | 2012
- 72
-
Thermodynamic description of the Ge–Na and Ge–K systems using the CALPHAD approach supported by first-principles calculationsWang, Yaru / Wang, Peisheng / Zhao, Dongdong / Hu, Biao / Du, Yong / Xu, Honghui / Chang, Keke et al. | 2012
- 77
-
Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si systemSchick, Michael / Hallstedt, Bengt / Glensk, Albert / Grabowski, Blazej / Hickel, Tilmann / Hampl, Milan / Gröbner, Joachim / Neugebauer, Jörg / Schmid-Fetzer, Rainer et al. | 2012
- 87
-
Thermodynamic assessment of Au–Ho and Au–Tm binary systemsDong, H.Q. / Tao, X.M. / Laurila, T. / Paulasto-Kröckel, M. et al. | 2012
- 94
-
First-principles calculations of phase stability in the Ti–Zr–Si ternary systemColinet, Catherine / Tedenac, Jean-Claude et al. | 2012
- 100
-
Thermodynamic description of the LiNiO2–NiO2 pseudo-binary system and extrapolation to the Li(Co,Ni)O2–(Co,Ni)O2 systemChang, Keke / Hallstedt, Bengt / Music, Denis et al. | 2012
- 108
-
Phase diagram of the TbBr3–CsBr binary system. Thermodynamic and transport properties of the Cs3TbBr6 compoundRycerz, Leszek / Chojnacka, Ida / Kapala, Jan / Gaune-Escard, Marcelle et al. | 2012
- 116
-
Experimental study and thermodynamic assessment of the Al–Fe rich side of the Al–Zn–Fe system at 300 and 550 ° CLuo, Qun / Chen, Ji-Long / Li, Yang / Yang, Fan / Li, Qian / Wu, Yue / Zhang, Jie-Yu / Chou, Kuo-Chih et al. | 2012
- 116
-
Experimental study and thermodynamic assessment of the Al-Fe rich side of the Al-Zn-Fe system at 300 and 550 ^o CLuo, Q. / Chen, J. L. / Li, Y. / Yang, F. / Li, Q. / Wu, Y. / Zhang, J. Y. / Chou, K. C. et al. | 2012
- 126
-
Structural, phonon and thermodynamic properties of fcc-based metal nitrides from first-principles calculationsWang, Aijun / Shang, ShunLi / Zhao, Dongdong / Wang, Jiong / Chen, Li / Du, Yong / Liu, Zi-Kui / Xu, Tao / Wang, Shequan et al. | 2012
- 132
-
Thermodynamic assessment of the Ho–Sb and Sb–Yb systemsLiu, X.J. / Gan, S.X. / Li, Z.S. / Wang, C.P. / Tang, A.T. / Pan, F.S. et al. | 2012
- 137
-
Elastic, phonon and thermodynamic properties of Mg–Ga compounds from first-principles calculationsGao, Qiannan / Du, Yong / Zhao, Dongdong / Wang, Aijun / Wang, Jiong / Liu, Shuhong / Ouyang, Yifang et al. | 2012
- 145
-
Assessment of the atomic mobilities for binary Al–Ag fcc alloysWang, Cuiping / Zhuang, Cuiping / Han, Jiajia / Liu, Xingjun et al. | 2011
- 151
-
First principles phase diagram calculations for the octahedral-interstitial system ,Burton, Benjamin Paul / van de Walle, Axel et al. | 2011
- 151
-
First principles phase diagram calculations for the octahedral-interstitial system,Burton, Benjamin Paul et al. | 2012
- 158
-
Thermodynamic assessments of the Sb–La and Sb–Tb systemsGao, F. / Wang, S.L. / Wang, C.P. / Liu, X.J. et al. | 2012
- IFC
-
Editorial Board| 2012