| First-principles structural design of superhard materials X Zhang, Y Wang, J Lv, C Zhu, Q Li, M Zhang, Q Li, Y Ma The Journal of chemical physics 138 (11), 2013 | 256 | 2013 |
| Orthorhombic C32: a novel superhard sp 3 carbon allotrope M Zhang, H Liu, Y Du, X Zhang, Y Wang, Q Li Physical Chemistry Chemical Physics 15 (33), 14120-14125, 2013 | 79 | 2013 |
| Structural and electronic properties of sodium azide at high pressure: A first principles study M Zhang, K Yin, X Zhang, H Wang, Q Li, Z Wu Solid state communications 161, 13-18, 2013 | 61 | 2013 |
| Lattice dynamics and elastic properties of the electron system: CeN V Kanchana, G Vaitheeswaran, X Zhang, Y Ma, A Svane, O Eriksson Physical Review B—Condensed Matter and Materials Physics 84 (20), 205135, 2011 | 51 | 2011 |
| First-Principles Prediction on the High-Pressure Structures of Transition Metal Diborides (TMB2, TM = Sc, Ti, Y, Zr) M Zhang, H Wang, H Wang, X Zhang, T Iitaka, Y Ma Inorganic chemistry 49 (15), 6859-6864, 2010 | 50 | 2010 |
| High-pressure phase transitions of solid HF, HCl, and HBr: An ab initio evolutionary study L Zhang, Y Wang, X Zhang, Y Ma Physical Review B—Condensed Matter and Materials Physics 82 (1), 014108, 2010 | 41 | 2010 |
| High pressure structures of “111” type iron-based superconductors predicted from first-principles X Zhang, Y Wang, Y Ma Physical Chemistry Chemical Physics 14 (43), 15029-15035, 2012 | 20 | 2012 |
| First-principles study of the magnetic, structural and electronic properties of LiFeAs X Zhang, H Wang, Y Ma Journal of Physics: Condensed Matter 22 (4), 046006, 2010 | 19 | 2010 |
| Pressure driven enhancement of ideal shear strength in bc8-carbon and diamond W Gong, M Wang, C Liu, Z Qin, Y Liu, X Zhang, Q Li, W Zheng The Journal of Physical Chemistry C 121 (47), 26457-26464, 2017 | 11 | 2017 |
| Pressure-induced amorphization in mayenite (12CaO· 7Al2O3) X Zhang, Y Wang, H Wang, Q Cui, C Wang, Y Ma, G Zou The Journal of chemical physics 135 (9), 2011 | 10 | 2011 |
| Superdense tI12 carbon: Unexpectedly high elastic moduli but low ideal strength M Li, X Zhang, Y Zhao Physics Letters A 382 (42-43), 3125-3130, 2018 | 9 | 2018 |
| Lattice instability and martensitic transformation in LaAg predicted from first-principles theory G Vaitheeswaran, V Kanchana, X Zhang, Y Ma, A Svane, SN Kaul Journal of Physics: Condensed Matter 24 (7), 075402, 2012 | 7 | 2012 |
| Novel boron channel-based structure of boron carbide at high pressures X Zhang, Y Zhao, M Zhang, H Liu, Y Yao, T Cheng, H Chen Journal of Physics: Condensed Matter 29 (45), 455401, 2017 | 5 | 2017 |
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