298 citations · 554 across the 18 of their papers we have counts for
10 papers · 1 filter
Superconductivity in electron-doped arsenene
Xin Kong, Miao Gao, Xun-Wang Yan +2
Based on the first-principles density functional theory electronic structure calculation, we investigate the possible phonon-mediated superconductivity in arsenene, a two-dimension…
Electron-phonon coupling and superconductivity in LiBC
Qi-Zhi Li, Xun-Wang Yan, Miao Gao +1
By means of the first-principles density-functional theory calculation and Wannier interpolation, electron-phonon coupling and superconductivity are systematically explored for bor…
Pair-checkerboard antiferromagnetic order in -FeSe with ordered Fe vacancies
Miao Gao, Xin Kong, Xun-Wang Yan +2
The electronic structure of recently discovered -FeSe with ordered Fe vacancies is calculated using first-principles density functional theory…
Prediction of phonon-mediated superconductivity in borophene
Miao Gao, Qi-Zhi Li, Xun-Wang Yan +1
Superconductivity in two-dimensional compounds is widely concerned, not only due to its application in constructing nano-superconducting devices, but also for the general scientifi…
Identification of the crystal structures of two superconducting phases for potassium-doped picene
Xun-Wang Yan, Zhongbing Huang, Hai-Qing Lin
By the first principles calculations and X-ray diffraction simulations, we perform a systematic study of multiple superconducting phases of potassium-doped picene [Nature {\bf464}…
Baphenanthrene is the main component in the Ba-doped phenanthrene sample
Xun-Wang Yan, Zhongbing Huang, Hai-Qing Lin
We systematically investigate the crystal structure of Ba-doped phenanthrene with various Ba doping levels by the first principle calculation method combining with the X-ray diffra…
Van der Waals density functional study of the structural and electronic properties of La-doped phenanthrene
Xun-Wang Yan, Zhongbing Huang, Hai-Qing Lin
By the first principles calculations based on the van der Waals density functional theory, we study the crystal structures and electronic properties of La-doped phenanthrene. Two s…
Layered pnictide-oxide NaTiPnO (Pn=As, Sb): a paradigm for spin density waves
Xun-Wang Yan, Zhong-Yi Lu
From the first-principles calculations, we have studied the electronic and magnetic structures of compound NaTiPnO (Pn = As or Sb). We find that in the ground state Na$…
Effect of the Wyckoff position of K atom on the crystal structure and electronic properties of KFeSe compound
Xun-Wang Yan, Miao Gao
By the first-principle electronic structure calculations, we study the effect of Wyckoff position of K atom on the crystal and electronic structures of KFeSe compound.When…
First-principles study of pressure-induced magnetic phase transitions in ternary iron selenide KFeSe
Lei Chen, Xun-Wang Yan, Zhong-Yi Lu +1
We have studied the pressure effect on electronic structures and magnetic orders of ternary iron selenide KFeSe by the first-principles electronic structure cal…