279 citations · 719 across the 19 of their papers we have counts for
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Appearance and disappearance of ferromagnetism in ultra-thin LaMnO on SrTiO substrate: a viewpoint from first-principles
Ming An, Yakui Weng, Huimin Zhang +3
The intrinsic magnetic state (ferromagnetic or antiferromagnetic) of ultra-thin LaMnO films on the mostly used SrTiO substrate is a long-existing question under debate. Eit…
Ferroelectric Ferrimagnetic LiFeF: Charge Ordering Mediated Magnetoelectricity
Ling-Fang Lin, Qiao-Ru Xu, Yang Zhang +3
Trirutile-type LiFeF is a charge-ordered material with Fe/Fe configuration. Here its physical properties, including magnetism, electronic structure, phase tra…
Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS
Yang Zhang, Lingfang Lin, Jun-Jie Zhang +3
CaOFeS is a semiconducting oxysulfide with polar layered triangular structure. Here a comprehensive theoretical study has been performed to reveal its physical properties, includin…
(LaTiO)/(LaVO) as a model system for unconventional charge transfer and polar metallicity
Yakui Weng, Jun-Jie Zhang, Bin Gao +1
At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maxi…
Pressure-driven phase transition from antiferromagnetic semiconductor to nonmagnetic metal in two-leg ladders Fe (=Ba or K, =S or Se)
Yang Zhang, Lingfang Lin, Jun-Jie Zhang +2
The recent discovery of superconductivity in BaFeS [Takahashi {\it et al.}, Nat. Mater. {\bf 14}, 1008 (2015)] has stimulated considerable interest in 123-type iron chalcog…
Magnetic and electronic properties of LaO and possible polaron formation in hole-doped LaO (=Ru and Os)
Bin Gao, Yakui Weng, Jun-Jie Zhang +3
Oxides with / transition metal ions are physically interesting for their particular crystalline structures as well as the spin-orbit coupled electronic structures. Recent e…
Superconductivity of monolayer MoC: the key role of functional groups
Jun-Jie Zhang, Shuai Dong
Monolayer MoC is a new member of two-dimensional materials. Here the electronic structure and lattice dynamics of monolayer MoC are calculated. According to the electron-ph…