| High-throughput screening for spin-gapless semiconductors in quaternary Heusler compounds Q Gao, I Opahle, H Zhang Physical Review Materials 3 (2), 024410, 2019 | 153 | 2019 |
| First-principle study on some new spin-gapless semiconductors: The Zr-based quaternary Heusler alloys Q Gao, HH Xie, L Li, G Lei, JB Deng, XR Hu Superlattices and Microstructures 85, 536-542, 2015 | 96 | 2015 |
| First-principles study of four quaternary Heusler alloys ZrMnVZ and ZrCoFeZ (Z= Si, Ge) HH Xie, Q Gao, L Li, G Lei, GY Mao, XR Hu, JB Deng Computational Materials Science 103, 52-55, 2015 | 73 | 2015 |
| High-throughput design of compounds D Ohmer, G Qiang, I Opahle, HK Singh, H Zhang Physical Review Materials 3 (5), 053803, 2019 | 59 | 2019 |
| A first-principle study on the properties of a new series of quaternary Heusler alloys CoFeScZ (Z= P, As, Sb) Q Gao, L Li, G Lei, JB Deng, XR Hu Journal of Magnetism and Magnetic Materials 379, 288-293, 2015 | 58 | 2015 |
| Magnetic i-MXenes: a new class of multifunctional two-dimensional materials Q Gao, H Zhang Nanoscale 12 (10), 5995-6001, 2020 | 54 | 2020 |
| First-principles study of the structure, electronic, magnetic and elastic properties of half-Heusler compounds LiXGe (X= Ca, Sr and Ba) JS Zhao, Q Gao, L Li, HH Xie, XR Hu, CL Xu, JB Deng Intermetallics 89, 65-73, 2017 | 52 | 2017 |
| Designing rare-earth free permanent magnets in Heusler alloys via interstitial doping Q Gao, I Opahle, O Gutfleisch, H Zhang Acta Materialia 186, 355-362, 2020 | 36 | 2020 |
| Dynamical stability, electronic and thermoelectric properties of quaternary ZnFeTiSi Heusler compound TT Lin, Q Gao, GD Liu, XF Dai, XM Zhang, HB Zhang Current Applied Physics 19 (6), 721-727, 2019 | 27 | 2019 |
| Half-metallic ferromagnetism of RbSe and CsTe compounds: A density functional theory study HH Xie, RY Ma, Q Gao, L Li, JB Deng Chemical Physics Letters 661, 89-93, 2016 | 22 | 2016 |
| Effect of As and Nb doping on the magnetic properties for quaternary Heusler alloy FeCoZrGe GY Mao, XX Liu, Q Gao, L Li, HH Xie, G Lei, JB Deng Journal of Magnetism and Magnetic Materials 398, 1-6, 2016 | 16 | 2016 |
| First-principle study of half-metallic ferromagnetism in rocksalt XO (X= Li, K, Rb, Cs) G Lei, XX Liu, HH Xie, L Li, Q Gao, JB Deng Journal of Magnetism and Magnetic Materials 397, 176-180, 2016 | 16 | 2016 |
| First-principles study on the bulk and (1 1 1) surface half-metallicity of KS and RbS in CsCl structure L Li, G Lei, Q Gao, JB Deng, XR Hu Materials Research Bulletin 68, 308-313, 2015 | 15 | 2015 |
| First-principles study of structural, electronic, magnetic and thermodynamic properties of the double perovskite Ba2CeCoO6 HH Xie, Q Gao, L Li, G Lei, XR Hu, JB Deng Solid State Communications 239, 49-54, 2016 | 14 | 2016 |
| First-principles investigations on electronic and thermodynamic properties of double perovskite Sr2XMoO6 (X= Ge and Si) L Li, Q Gao, G Lei, HH Xie, JB Deng, XR Hu Journal of Physics and Chemistry of Solids 94, 30-36, 2016 | 13 | 2016 |
| First-Principle Investigations of 3d Transition Metal (Fe, Cu, and Co)-Doped Rocksalt MgO by Chain X Liu, Q Gao, L Li, J Zhao, X Hu, J Deng Journal of Superconductivity and Novel Magnetism 30, 1635-1641, 2017 | 11 | 2017 |
| First-principle study on bulk and (1 1 1) surface of MP (M= K and Rb) in rocksalt structure Q Gao, L Li, HH Xie, G Lei, JB Deng, XR Hu Materials Chemistry and Physics 163, 460-469, 2015 | 6 | 2015 |
| High-throughput screening of multifunctional magnetic materials Q Gao Technische Universität Darmstadt, 2020 | 2 | 2020 |
| A first-principle study of half-Heusler alloys CKMg and SiKMg G Lei, XX Liu, L Li, Q Gao, XR Hu, J Deng arXiv preprint arXiv:1506.03297, 2015 | 2 | 2015 |
| Half-metallic ferromagnetism in the RbSe and CsTe compounds with CsCl structure: A first-principles study HH Xie, Q Gao, L Li, G Lei, XR Hu, JB Deng arXiv preprint arXiv:1504.07705, 2015 | | 2015 |