1、Computational Study of the Structural, Mechanical, Electronic, Half‑Metallic, and Magnetic Properties of CoCrYZ (Z = In, Sn, Tl, and Pb) Quaternary Heusler Alloys, Journal of Superconductivity and Novel Magnetism, (2022) 35(2022)2837-2850. SCI收录 2、Structural configuration and phase stability in the quaternary Heusler compounds CoCrYSb (Y=Sc,Ti, V), Computational and Theoretical Chemistry, 1210(2022)113656. SCI收录 3、First-principles calculations to investigate stability, electronic properties and anisotropy of half-metallic full Heusler alloy Co2NbGa, Results in Physics, 34(2022)105237. SCI收录 4、Transition of spin gapless semiconductor to semiconductor and half-metal in ferromagnetic Ba2MnTeO6, Results in Physics, 25(2021)104315. SCI收录 5、First-Principles Study of the Physical Properties of the New Quaternary Heusler Alloy CoMnVZ (Z = Sn and Sb), Physics of the Solid State, 63(2021)272-278. SCI收录 6、Electronic structures, magnetic properties and mechanical stability of half-metallic quaternary Heusler CoMnVTe, Applied Physics A-Materials Science & Processing, 126(2020)911. SCI收录 7、Modulation of strain, electric field and organic cation rotation on the band gap and electronic structures of organic-inorganic hybrid perovskite CH3NH3PbI3, Chinese Journal of Physics, 67(2020)559-568. SCI收录 8、Effect of Strain on the Elastic, Electronic, and Magnetic Properties of Fluoro-Pervskite RbMnF3 and RbFeF3, Journal of Superconductivity and Novel Magnetism, 32(2019)3811-3821. SCI收录 9、Effect of coulomb interaction on the electronic properties of bulk and surface of quaternary heusler CoCrScBi, Solid State Sciences, 97(2019)106018. SCI收录 10、High spin polarization in formamidinium transition metal iodides: first principles prediction of novel half-metals and spin gapless semiconductors, Physical Chemistry Chemical Physics, 21 (2019)16213. SCI收录 11、 First principles study of RbVF3: A spin gapless semiconductor under high pressure, Chinese Journal of Physics, 58, (2019) 132-136. SCI收录 12、First principles investigation of half-metallicity and spin gapless semiconductor in CH3NH3CrxPb1-xI3 mixed perovskites, Applied Physics A, 124 (2018) 284. SCI收录 13、Mechanical and half-metallic properties of half-Heusler CoCrSn, Modern Physics Letters B, 32 (1) (2018) 1850006. SCI收录 14、 Electronic and mechanical properties of half-metallic half-Heusler compounds CoCrZ (Z = S, Se, and Te), Chinese Physics B, 27(1) (2018) 017103. SCI收录 15、Design of half-metal and spin gapless semiconductor for spintronics application via cation substitution in methylammonium lead iodide, Applied Physics Express, 10 (2017) 123002. SCI收录 16、Pressure-induced electronic, magnetic, half-metallic, and mechanical properties of half-Heusler compound CoCrBi,Journal of Magnetism and Magnetic Materials,438 (2017) 5-11. SCI收录 17、 First-principles investigations on the mechanical, thermal,electronic, and optical properties of the defect perovskitesCs2SnX6 (X = Cl, Br, I),Chinese Physics B, 26(9) (2017) 096301. SCI收录 18、 First principles investigations on the electronic properties of Cr doped α-Ca(BH4)2,Chinese Journal of Physics,55 (2017) 870-875. SCI收录 19、 A first principles study of the electronic structures and tetragonal distortion of the Ti2NiGa heusler alloy, Journal of Superconductivity and Novel Magnetism, 27 (2014) 1579-1585. SCI收录 20、 Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe, Journal of Applied Physics, 115 (2014) 043713. SCI收录 21、First principles study of half-metallic and magnetic properties of V doped MgSiN2 chalcopyrite, Journal of Superconductivity and Novel Magnetism, 27 (2014) 257-261. SCI收录 22、First-principles study of half-metallic properties of the Heusler alloy Ti2CoGe, Journal of Magnetism and Magnetic Materials, 324 (2012) 2560-2564. SCI收录 23、Half metallicity through wide range of lattice constants in Heusler alloys Co2MnGa1−xGex: First-principles calculations, Physica Status Solidi B, 249 (2012) 840-846. SCI收录 24、Electronic structure and half-metallic property of Si3CaC4, European Physical Journal B, 83, (2011) 319-323. SCI收录 25、First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase, Physica Status Solidi B, 248 (2011) 1258-1263. SCI收录 26、First-principles Study of Electronic Structure and Half-metallicity of Molecule-based Ferromagnet Cr[N(CN)2]2, Chinese Journal of Chemical Physics, 24 (2011) 189-193. SCI收录 27、First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb, Physica B: Condensed Matter, 406 (2011) 1368-1373. SCI收录 28、First-principles study of the stability and the electronic structure of NiO/MgO interface, Computational Materials Science, 50 (2010) 198-202. SCI收录 29、Electronic Structure and Magnetic Properties of Cu[C(CN)3]2 and Mn[C(CN)3]2 Based on First Principles, Communications in Theoretical Physics, 54 (2010) 938-942. SCI收录 |