1、Alexander. Goncharov

华盛顿卡耐基科学研究所地球物理实验室

2、毛河光

华盛顿卡耐基科学研究所地球物理实验室

3、KHENATA Rabah

马斯卡拉大学

国际合作论文：

1. X.W. Sun*, Z.J. Liu, W.L. Quan, T. Song, R. Khenata, S. Bin-Omran, High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations, Journal of Physics and Chemistry of Solids 116 (2018) 209-215.

2. X.W. Sun*, N. Bioud, Z.J. Fu, X.P. Wei, T. Song, Z.W. Li, High-pressure elastic properties of cubic Ir₂P from ab initio calculations, Physics Letters A 380 (2016) 3672-3677.

3. N. Bioud, X.W. Sun*, S. Daoud, T. Song*, R. Khenata, S. Bin-Omran, High-temperature and high-pressure physical properties of CuI with zinc-blende phase by a systematic ab initio investigation, Optik 155 (2018) 17-25.

4. N. Bioud, X.W. Sun, S. Daoud*, T. Song, Z.J. Liu, Structural stability and thermodynamic properties of BSb under high pressure and temperature, Materials Research Express 5 (2018) 085904-12.

5. N. Bioud, X.W. Sun, N. Bouarissa*, S. Daoud, Elastic constants and related properties of compressed rocksalt CuX (X =Cl, Br): ab initio study, Zeitschrift für Naturforschung A 73 (2018) 767-773.

6. J.H. Tian*, X.W. Sun*, T. Song, R. Khenata, S. Bin-Omran, W.L. Quan, Y.N. Zhao, G. Jiang, Phase transition and high-pressure thermodynamic properties of CdN derived from first-principles and quasi-harmonic Debye model, Computational and Theoretical Chemistry 1120 (2017) 91-95.

7. N. Bioud, K. Kassali, X.W. Sun*, T. Song, R. Khenata, S. Bin-Omran, High-pressure phase transition and thermodynamic properties from first-principles calculations: Application to cubic copper iodide, Materials Chemistry and Physics 203 (2018) 362-373.

8. N. Lebga, S. Daoud*, X.W. Sun, N. Bioud, A. Latreche, Mechanical and thermophysical properties of cubic rock-salt AlN under high pressure, Journal of Electronic Materials 47 (2018) 3430-3439.

9. M. Zenasni, M.E. Amine Monir, H. Baltach, X.W. Sun, D. Varshney*, S. Bin Omran, M. Sehil, R. Khenata*, First-principles investigation on the mechanical and electronic properties of novel Pb_1−xCe_xY alloys (Y=S, Se, and Te): an ab initio study, Materials Research Express 4 (2017) 095903-16.

10. O. Amrich, M.E. Amine Monir, H. Baltach, S. Bin Omran, X.W. Sun, X. Wang, Y. Al-Douri*, A. Bouhemadou, R. Khenata, Half-metallic ferrimagnetic characteristics of Co₂YZ (Z = P, As, Sb, and Bi) new full-Heusler alloys: a DFT study, Journal of Superconductivity and Novel Magnetism 31 (2018) 241-250.

11. F. Chiker, H. Khachai, C. Mathieu, S. Bin-Omran, B. Kada, X.W. Sun*, Sandeep, D.P. Rai, R. Khenata*, Computational investigations of the band structure, and thermodynamic and optical features of thorium-based oxide ThGeO₄ using the full-potential linearized augmented plane-wave plus local orbital approach, Journal of Physics and Chemistry of Solids 116 (2018) 386-392.

12. R. Moussa, A. Abdiche, R. Khenata*, X.T. Wang, D. Varshney*, X.W. Sun, S. Bin Omran, A. Bouhemadou, D.P. Rai, Structural, electronic, optical, thermodynamic and elastic properties of the zinc-blende Al_xIn_1-xN ternary alloys: A first principles calculations, Journal of Physics and Chemistry of Solids 119 (2018) 36-49.

13. T. Belfarh, M. Batouche,  T. Seddik*,  G. Uğurb, S. Bin Omran, A. Bouhemadou, Sandeep, X. Wang, X.W. Sun, R. Khenata*, Insight into the optoelectronic and thermoelectric properties of Ca-based Zintl phase CaCd₂X₂ (X = P, As) from first principles calculation, Physica B 538 (2018) 35-46.