298 citations · 554 across the 18 of their papers we have counts for
18 papers
Two-dimensional anisotropic Dirac materials PtN4C2 and Pt2N8C6 with quantum spin and valley Hall effects
Jingping Dong, Chuhan Wang, Xinlei Zhao +4
We propose two novel two-dimensional topological Dirac materials, planar PtN4C2 and Pt2N8C6, which exhibit graphene-like electronic structures with linearly dispersive Dirac-cone s…
Two-dimensional binary transition metal nitride N ( = V, Cr, Mn, Fe, Co) with a graphene-like structure and strong magnetic properties
Shuo Zhang, Panjun Feng, Dapeng Liu +5
Binary transition metal nitride with a graphene-like structure and strong magnetic properties is rare. Based on the first-principles calculations, we design two kinds of N (…
High-temperature ferromagnetism in two-dimensional material MnSn originated from interlayer coupling
Panjun Feng, Xiaohui Zhang, Dapeng Liu +3
MnSn monolayer synthesized recently is a novel two-dimensional ferromagnetic material with a hexagonal lattice, in which three Mn atom come together to form a trimer, making it rem…
Prediction of single-atom-thick transition metal nitride CrN with a square-planar network and high-temperature ferromagnetism
Dapeng Liu, Panjun Feng, Shuo Zhang +4
Single-atom-thick two-dimensional materials such as graphene usually have a hexagonal lattice while the square-planar lattice is uncommon in the family of two-dimensional materials…
Achieving high-temperature ferromagnetism by means of magnetic ions dimerization
Panjun Feng, Shuo Zhang, Dapeng Liu +4
Magnetic two-dimensional materials have potential application in next-generation electronic devices and have stimulated extensive interest in condensed matter physics and material…
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}…
Geometrical and electronic structures of tripotassium-doped hydrocarbon superconductors: Density functional calculations
Guohua Zhong, Zhongbing Huang, Chao Zhang +3
A systemically theoretical study has been presented to explored the crystal structures and electronic characteristics of polycyclic aromatic hydrocarbons (PAHs), such as solid phen…
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…
Electronic structures and magnetic orders of Fe-vacancies ordered ternary iron selenides TlFeSe and AFeSe (A=K, Rb, or Cs)
Xun-Wang Yan, Miao Gao, Zhong-Yi LU +1
By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFeSe is a quasi-two-dimensional collinear antifer…
Pressure- and temperature-induced structural phase transitions of CaFeAs and BaFeAs studied in the Hund's rule correlation picture
Wei Ji, Xun-Wang Yan, Zhong-Yi Lu
With the proposed Hund's rule correlation picture, i.e. the fluctuating Fe local moments with the As-bridged antiferromagnetic superexchange interactions, the exceptional collapsed…