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  1. No Access

    Article

    Strain manipulates the electric, elastic, thermal, and optical properties of MXene Lu2CT2 (T = F, OH)

    In this paper, based on the density functional theory, the influence of the strain on the electric, elastic, thermal, and optical properties of Lu2CT2 (T = F, OH) is systematically studied. Because of hybridizati...

    Shao-Bo Chen, San-Dong Guo, Bing Lv in The European Physical Journal Plus (2024)

  2. No Access

    Article

    Proposal for valleytronic materials: Ferrovalley metal and valley gapless semiconductor

    Valleytronic materials can provide new degrees of freedom to future electronic devices. In this work, the concepts of the ferrovalley metal (FVM) and valley gapless semiconductor (VGS) are proposed, which can ...

    San-Dong Guo, Yu-Ling Tao, Guangzhao Wang, Shaobo Chen, Dong Huang… in Frontiers of Physics (2023)

  3. No Access

    Article

    Lattice Thermal Transport of BAs, CdSe, CdTe, and GaAs: A First Principles Study

    This article presents a demonstration of the significant impact that the atomic masses of constituent atoms and the isotopically pure and heavy property of a constituent atom have on the thermal conductivity i...

    Nurul Ahad Akil, San-Dong Guo in Journal of Electronic Materials (2023)

  4. No Access

    Article

    Correlation-driven threefold topological phase transition in monolayer OsBr2

    Spin—orbit coupling (SOC) combined with electronic correlation can induce topological phase transition, producing novel electronic states. Here, we investigate the impact of SOC combined with correlation effec...

    San-Dong Guo, Yu-Ling Tao, Wen-Qi Mu, Bang-Gui Liu in Frontiers of Physics (2023)

  5. No Access

    Article

    Piezoelectric properties of Ga2O3: a first-principle study

    The compounds exhibit piezoelectricity, which demands to break inversion symmetry, and then to be a semiconductor. For Ga2O3, the orthorhombic case (ϵ-Ga2O3) of common five phases breaks inversion symmetry. Here,...

    San-Dong Guo, Hui-Min Du in The European Physical Journal B (2020)

  6. No Access

    Article

    Electronic and optical properties of single-layer MoS2

    The electronic structures of a MoS2 monolayer are investigated with the all-electron first principle calculations based on the density functional theory (DFT) and the spin-orbital couplings (SOCs). Our results sh...

    Hai-Ming Dong, San-Dong Guo, Yi-Feng Duan, Fei Huang, Wen Xu… in Frontiers of Physics (2018)

  7. No Access

    Article

    Electronic structure and thermoelectric properties of (Mg2X)2 / (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices from first-principle calculations

    To identify thermoelectric materials containing abundant, low-cost and non-toxic elements, we have studied the electronic structures and thermoelectric properties of (Mg2X)2/ (Mg2Y)2 (X, Y = Si, Ge, Sn) superlat...

    San-Dong Guo in The European Physical Journal B (2016)

  8. No Access

    Article

    Electronic structures of the ferrimagnetic double-perovskites Sr2XReO6 (X = Cr, Mn, Fe, Ni) with the modified Becke-Johnson potential

    We investigate the electronic structures and magnetic properties of the ferrimagnetic double-perovskites Sr2XReO6 (X = Cr, Mn, Fe, Ni) by using Tran and Blaha’s modified Becke and Johnson exchange potential. The ...

    San-Dong Guo in The European Physical Journal B (2015)