| Stability, electronic, magnetic and pressure effect of half-Heusler alloys CNaCa and SiNaCa: A first-principles study XP Wei, YD Chu, XW Sun, JB Deng, YZ Xing Superlattices and Microstructures 74, 70-77, 2014 | 49 | 2014 |
| Heat capacity of ZnO with cubic structure at high temperatures XW Sun, ZJ Liu, QF Chen, HW Lu, T Song, CW Wang Solid state communications 140 (5), 219-224, 2006 | 49 | 2006 |
| Structural, mechanical, thermodynamics properties and phase transition of FeVSb B Kong, B Zhu, Y Cheng, L Zhang, QX Zeng, XW Sun Physica B: Condensed Matter 406 (15), 3003-3010, 2011 | 32 | 2011 |
| Properties of MgO at high pressures: Shell-model molecular dynamics simulation XW Sun, QF Chen, YD Chu, CW Wang Physica B: Condensed Matter 370 (1), 186-194, 2005 | 32 | 2005 |
| First-principles investigations of elastic stability and electronic structure of cubic platinum carbide under pressure XW Sun, QF Chen, XR Chen, LC Cai, FQ Jing Journal of Applied Physics 110 (10), 103507, 2011 | 30 | 2011 |
| First-principles study on stability, electronic and thermodynamic properties of Ti2CoIn and Ti2NiIn XP Wei, YD Chu, XW Sun, JB Deng The European Physical Journal B 86 (11), 1-7, 2013 | 27 | 2013 |
| Structural and thermodynamic properties of GaN at high pressures and high temperatures XW Sun, QF Chen, YD Chu, CW Wang Physica B: Condensed Matter 368 (1), 243-250, 2005 | 26 | 2005 |
| Theoretical investigations of the physical properties of tetragonal CaSiO3 perovskite ZJ Liu, SQ Duan, J Yan, XW Sun, CR Zhang, YD Chu Solid State Communications 150 (19), 943-948, 2010 | 25 | 2010 |
| Electronic, magnetic and Fermi properties investigates on quaternary Heusler NiCoCrAl, NiCoCrGa and NiFeCrGa XP Wei, YL Zhang, YD Chu, XW Sun, T Sun, P Guo, JB Deng Journal of Physics and Chemistry of Solids 82, 28-35, 2015 | 24 | 2015 |
| High pressure melting of MgO ZJ Liu, XW Sun, QF Chen, LC Cai, XM Tan, XD Yang Physics Letters A 353 (2), 221-225, 2006 | 23 | 2006 |
| Ab initio study on physical properties of wurtzite, zincblende, and rocksalt structures of zinc oxide using revised functionals FG Kuang, XY Kuang, SY Kang, MM Zhong, XW Sun Materials Science in Semiconductor Processing 31, 700-708, 2015 | 19 | 2015 |
| Application of a shell model in molecular dynamics simulation to ZnO with zinc-blende cubic structure XW Sun, YD Chu, T Song, ZJ Liu, L Zhang, XG Wang, YX Liu, QF Chen Solid state communications 142 (1), 15-19, 2007 | 19 | 2007 |
| Melting and isothermal bulk modulus of the rocksalt phase of ZnO with molecular dynamics simulation XW Sun, QF Chen, CW Wang, Y Li, J Wang Physica B: Condensed Matter 355 (1), 126-133, 2005 | 19 | 2005 |
| The high-pressure melting curve of CaO XW Sun, T Song, YD Chu, ZJ Liu, ZR Zhang, QF Chen Solid State Communications 150 (37), 1785-1788, 2010 | 17 | 2010 |
| Erratum to ‘First-principles calculations of phase transition and bulk modulus of PtC’ [Chem. Phys. Lett. 496 (1–3) (2010) 64–67] XW Sun, ZY Zeng, T Song, ZJ Fu, B Kong, QF Chen Chemical Physics Letters 510 (4-6), 278, 2011 | 16* | 2011 |
| Molecular dynamics study on the structural and thermodynamic properties of the zinc-blende phase of GaN at high pressures and high temperatures XW Sun, YD Chu, ZJ Liu, YX Liu, CW Wang, WM Liu | 16 | 2005 |
| Isothermal bulk modulus and its first pressure derivative of NaCl at high pressure and high temperature T Song, XW Sun, ZJ Liu, JF Li, T Jun-Hong Chinese Physics B 3, 062, 2012 | 15 | 2012 |
| Shell and breathing shell model calculations for isothermal bulk modulus in MgO at high pressures and temperatures XW Sun, YD Chu, ZJ Liu, T Song, P Guo, QF Chen Materials Chemistry and Physics 116 (1), 34-40, 2009 | 15 | 2009 |
| Ab initio study of phase transition and bulk modulus of NaH XW Sun, QF Chen, XR Chen, LC Cai, FQ Jing Journal of Solid State Chemistry 184 (2), 427-431, 2011 | 14 | 2011 |
| Comparative study of the structural and thermodynamic properties of MgO at high pressures and high temperatures T Song, XW Sun, YX Liu, ZJ Liu, QF Chen, CW Wang Journal of Alloys and Compounds 461 (1), 279-284, 2008 | 14 | 2008 |
