电子结构计算

作者 Chong Liu · Jiahao Mao · Hao Ding · Rui Wu · Chenjia Tang · Fangsen Li · Ke He · Wei Li · Can-Li Song · Xu-Cun Ma · Zheng Liu · Lili Wang · Qi-Kun Xue

Prediction of two-dimensional nodal-line semimetals in a carbon nitride covalent network

2018

期刊 Journal of Materials Chemistry A

作者 Haiyuan Chen · Shunhong Zhang · Wei Jiang · Chunxiao Zhang · Heng Guo · Zheng Liu · Zhiming Wang · Feng Liu · Xiaobin Niu

Role of interstitial hydrogen in SrCoO2.5 antiferromagnetic insulator

2018

期刊 Physical Review Materials

作者 Li Liang · Shuang Qiao · Shiqiao Du · Shunhong Zhang · Jian Wu · Zheng Liu

Tunable spin states in the two-dimensional magnet CrI3

2018

期刊 Nanoscale

作者 Fawei Zheng · Jize Zhao · Zheng Liu · Menglei Li · Mei Zhou · Shengbai Zhang · Ping Zhang

Electronic and spin dynamics in the insulating iron pnictide NaFe0.5Cu0.5As

2017

期刊 Physical Review B

作者 Shunhong Zhang · Yanjun He · Jia-Wei Mei · Feng Liu · Zheng Liu

Gapped Spin-1/2 Spinon Excitations in a New Kagome Quantum Spin Liquid Compound Cu3Zn(OH)6FBr

2017

期刊 Chinese Physics Letters

作者 Zili Feng · Zheng Li · Xin Meng · Wei Yi · Yuan Wei · Jun Zhang · Yan-Cheng Wang · Wei Jiang · Zheng Liu · Shiyan Li · Feng Liu · Jianlin Luo · Shiliang Li · Guo-Qing Zheng · Zi Yang Meng · Jia-Wei Mei · Youguo Shi

Mottness Collapse in 1T−TaS2−xSex Transition-Metal Dichalcogenide: An Interplay between Localized and Itinerant Orbitals

2017

期刊 Physical Review X

作者 Shuang Qiao · Xintong Li · Naizhou Wang · Wei Ruan · Cun Ye · Peng Cai · Zhenqi Hao · Hong Yao · Xianhui Chen · Jian Wu · Yayu Wang · Zheng Liu

π conjugation in the epitaxial Si(111)- 3×3 surface: Unconventional “bamboo hat” bonding geometry for Si

2017

期刊 Physical Review B

作者 Wei Jiang · Zheng Liu · Miao Zhou · Xiaojuan Ni · Feng Liu

Magnetic Dirac fermions and Chern insulator supported on pristine silicon surface

2016

期刊 Physical Review B

作者 Huixia Fu · Zheng Liu · Chao Lian · Jin Zhang · Hui Li · Jia-Tao Sun · Sheng Meng

Structural, electronic, and magnetic properties of tris(8-hydroxyquinoline)iron(III) molecules and their magnetic coupling with ferromagnetic surface: first-principles study

2016

期刊 Journal of Physics: Condensed Matter

作者 W Jiang · M Zhou · Z. Liu · D Sun · Z V Vardeny · F. Liu

First-principles study of the organometallicS=12kagome compound Cu(1,3-bdc)

2015

期刊 Physical Review B

作者 Zheng Liu · Jia-Wei Mei · Feng Liu

Selectively doping barlowite for quantum spin liquid: A first-principles study

2015

期刊 Physical Review B

作者 Zheng Liu · Xiaolong Zou · Jia-Wei Mei · Feng Liu

Epitaxial growth of large-gap quantum spin Hall insulator on semiconductor surface

2014

期刊 Proceedings of the National Academy of Sciences

作者 Miao Zhou · Wenmei Ming · Zheng Liu · Zhengfei Wang · Ping Li · Feng Liu

Exotic electronic states in the world of flat bands: From theory to material

2014

期刊 Chinese Physics B

作者 Zheng Liu · Feng Liu · Yong-Shi Wu

Exotic fractional topological states in a two-dimensional organometallic material

2014

期刊 Physical Review B

作者 Wei Li · Zheng Liu · Yong-Shi Wu · Yan Chen

Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling

2014

期刊 Scientific Reports

作者 Miao Zhou · Wenmei Ming · Zheng Liu · Zhengfei Wang · Yugui Yao · Feng Liu

sd2Graphene: Kagome Band in a Hexagonal Lattice

2014

期刊 Physical Review Letters

作者 Miao Zhou · Zheng Liu · Wenmei Ming · Zhengfei Wang · Feng Liu

First-Principles Calculations on the Effect of Doping and Biaxial Tensile Strain on Electron-Phonon Coupling in Graphene

2013

期刊 Physical Review Letters

作者 Chen Si · Zheng Liu · Wenhui Duan · Feng Liu

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Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles

Tunable Magnetic and Electronic Properties of the 2D CoO2 Layer

A first-principle perspective on electronic nematicity in FeSe

In-plane ordering of oxygen vacancies in a high- Tc cuprate superconductor with compressed Cu-O octahedrons: An automated cluster expansion study

Renormalization of the Mott gap by lattice entropy: The case of 1T- TaS2

Tunable bending modulus and bending limit of oxidized graphene

Dichotomy between frustrated local spins and conjugated electrons in a two-dimensional metal–organic framework

Electron-nuclear hyperfine coupling in quantum kagome antiferromagnets from first-principles calculation and a reflection of the defect effect

Kagome bands disguised in a coloring-triangle lattice

Scanning tunneling spectroscopic study of monolayer 1T-TaS2 and 1T-TaSe2

Topological superconducting phase in high-Tc superconductor MgB2 with Dirac–nodal-line fermions

Atomic scale electronic structure of the ferromagnetic semiconductor Cr 2 Ge 2 Te 6

Extensive impurity-scattering study on the pairing symmetry of monolayer FeSe films on SrTiO3

Prediction of two-dimensional nodal-line semimetals in a carbon nitride covalent network

Role of interstitial hydrogen in SrCoO2.5 antiferromagnetic insulator

Tunable spin states in the two-dimensional magnet CrI3

Electronic and spin dynamics in the insulating iron pnictide NaFe0.5Cu0.5As

Gapped Spin-1/2 Spinon Excitations in a New Kagome Quantum Spin Liquid Compound Cu3Zn(OH)6FBr

Mottness Collapse in 1T−TaS2−xSex Transition-Metal Dichalcogenide: An Interplay between Localized and Itinerant Orbitals

π conjugation in the epitaxial Si(111)- 3×3 surface: Unconventional “bamboo hat” bonding geometry for Si

Magnetic Dirac fermions and Chern insulator supported on pristine silicon surface

Structural, electronic, and magnetic properties of tris(8-hydroxyquinoline)iron(III) molecules and their magnetic coupling with ferromagnetic surface: first-principles study

First-principles study of the organometallicS=12kagome compound Cu(1,3-bdc)

Selectively doping barlowite for quantum spin liquid: A first-principles study

Epitaxial growth of large-gap quantum spin Hall insulator on semiconductor surface

Exotic electronic states in the world of flat bands: From theory to material

Exotic fractional topological states in a two-dimensional organometallic material

Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling

sd2Graphene: Kagome Band in a Hexagonal Lattice

First-Principles Calculations on the Effect of Doping and Biaxial Tensile Strain on Electron-Phonon Coupling in Graphene