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20012023
most citedHubbard U and Hund's Exchange J in Transition Metal Oxides: Screening vs. Localization Trends from Constrained Random Phase Approximation

319 citations

30 papers

cond-mat.mes-hall2023★ 18 cited

Nonlinear optical diode effect in a magnetic Weyl semimetal

Christian Tzschaschel, Jian-Xiang Qiu, Xue-Jian Gao +18

Diode effects are of great interest for both fundamental physics and modern technologies. Electrical diode effects (nonreciprocal transport) have been observed in Weyl systems. Opt…

cond-mat.mtrl-sci2023★ 20 cited

Topology hierarchy of transition metal dichalcogenides built from quantum spin Hall layers

Lixuan Xu, Yiwei Li, Yuqiang Fang +15

The evolution of the physical properties of two-dimensional material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct…

cond-mat.supr-con2022★ 29 cited

Direct observation of topological surface state in the topological superconductor 2M-WS2

Soohyun Cho, Soonsang Huh, Yuqiang Fang +15

The quantum spin Hall (QSH) effect has attracted extensive research interest because of the potential applications in spintronics and quantum computing, which is attributable to tw…

physics.chem-ph2021★ 1 cited

Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-based Metallofullerene Spin Qubits

Ziqi Hu, Aman Ullah, Helena Prima-Garcia +6

To design molecular spin qubits with enhanced quantum coherence, a control of the coupling between the local vibrations and the spin states is crucial, which could be realized in p…

cond-mat.mes-hall2020★ 6 cited

Electronic Raman Scattering in Suspended Semiconducting Carbon Nanotubes

Yuecong Hu, Shaochuang Chen, Daqi Zhang +7

The electronic Raman scattering (ERS) features of single-walled carbon nanotubes (SWNTs) can reveal a wealth of information about their electronic structures, but have previously b…

cond-mat.str-el2019★ 140 cited

A substantial hybridization between correlated Ni-d orbital and itinerant electrons in infinite-layer nickelates

Yuhao Gu, Sichen Zhu, Xiaoxuan Wang +2

The discovery of unconventional superconductivity in hole doped NdNiO2, similar to CaCuO2, has received enormous attention. However, different from CaCuO2, RNiO2 (R = Nd, La) has i…

cond-mat.supr-con2019★ 8 cited

Unconventional High Temperature Superconductivity in Cubic Zinc-blende Transition Metal Compounds

Qiang Zhang, Kun Jiang, Yuhao Gu +1

We consider possible high temperature superconductivity (high-T) in transition metal compounds with a cubic zinc-blende lattice structure. When the electron filling configurati…

cond-mat.mtrl-sci2019★ 7 cited

Oxygen Vacancy Induced Structural Distortions in Black Titania -- A Unique Approach using Soft X-Ray EXAFS at the O K-Edge

Brett Leedahl, Tristan de Boer, Xiaotao Yuan +1

Unknown changes in the crystalline order of regular TiO result in the formation of black titania, which has garnered significant interest as a photocatalytic material due to th…

cond-mat.mtrl-sci2019★ 43 cited

Electric field manipulation enhanced by strong spin-orbit coupling: promoting rare-earth ions as qubits

Zheng Liu, Ye-Xin Wang, Yu-Hui Fang +4

Quantum information processing based on magnetic ions are considered potential candidates for applications because they can be modified and scaled up by a variety of chemical metho…

cond-mat.supr-con2019★ 9 cited

Topological superconductivity in Ni-based transition-metal trichalcogenide superconductors

Yinxiang Li, Xianxin Wu, Yuhao Gu +4

Based on a two-orbital honeycomb lattice model and random phase approximation, we investigate the pairing symmetry of the Ni-based transition-metal trichalcogenide. We find that an…

cond-mat.supr-con2019★ 13 cited

Structural and electronic phase transitions driven by electric field in metastable MoS thin flake

C. Shang, B. Lei, W. Z. Zhuo +12

Transition-metal-dichalcogenides own a variety of structures as well as electronic properties which can be modulated by structural variations, element substitutions, ion or molecul…

cond-mat.str-el2018★ 45 cited

Ni-based transition-metal trichalcogenide monolayer: a strongly correlated quadruple-layer graphene

Yuhao Gu, Qiang Zhang, Congcong Le +3

We investigate the electronic physics of layered Ni-based trichalcogenide NiPX (X=S, Se), a member of transition-metal trichalcogenides (TMTs) with the chemical formula, ABX$_3…

cond-mat.supr-con2018★ 49 cited

Superconductivity in the metastable 1T' and 1T''' phases of MoS crystals

C. Shang, Y. Q. Fang, Q. Zhang +12

Transition-metal dichalcogenides open novel opportunities for the exploration of exciting new physics and devices. As a representative system, 2H-MoS has been extensively inves…

cond-mat.supr-con2018★ 170 cited

Coexistence of Intrinsic Superconductivity and Topological Insulator State in Monoclinic Phase WS2

Yuqiang Fang, Jie Pan, Dongqin Zhang +14

Recently, intriguing phenomena of superconductivity, type-II Weyl semimetal or quantum spin Hall states were discovered in metastable 1T'-type VIB-group transition metal dichalcoge…

cond-mat.supr-con2018★ 7 cited

Predicting Diamond-like Co-based Chalcogenides as Unconventional High Temperature Superconductors

Jiangping Hu, Yuhao Gu, Congcong Le

We predict Co-based chalcogenides with a diamond-like structure can host unconventional high temperature superconductivity (high-). The essential electronic physics in these m…

cond-mat.supr-con2017★ 202 cited

Structure Re-determination and Superconductivity Observation of Bulk 1T MoS2

Yuqiang Fang, Jie Pan, Jianqiao He +10

2H MoS2 has been intensively studied because of layer-dependent electronic structures and novel physical properties. Though the metastable 1T MoS2 with the [MoS6] octahedron was ob…

cond-mat.str-el2016★ 50 cited

Structural and magnetic properties of two branches of the Tripod Kagome Lattice family ARESbO (A = Mg, Zn; RE = Pr, Nd, Gd, Tb, Dy, Ho, Er, Yb)

Z. L. Dun, J. Trinh, M. Lee +7

We present a systematic study of the structural and magnetic properties of two branches of the rare earth Tripod Kagome Lattice (TKL) family ARESbO (A = Mg…

cond-mat.mtrl-sci2016★ 27 cited

The super-super exchange mechanism in iron-based antiperovskite chalco-halides

Kai Liu, Zhong-Yi Lu

By using the first-principles electronic structure calculations, we have systematically studied the magnetism in three recently synthesized iron-based antiperovskite chalco-halides…

cond-mat.str-el2016★ 91 cited

Removing the spin ice cap: magnetic ground states of rare earth tripod kagome lattice MgRESbO (RE = Gd, Dy, Er)

Zhiling Dun, Jennifer Trinh, Kuo Li +9

We present the structural and magnetic properties of a new compound family, MgRESbO (RE = Gd, Dy, Er), with a hitherto unstudied frustrating lattice, the "tripod…

cond-mat.supr-con2015★ 26 cited

Nodal superconductivity in FeS: Evidence from quasiparticle heat transport

T. P. Ying, X. F. Lai, X. C. Hong +7

We report low-temperature heat transport measurements on superconducting iron sulfide FeS with 5 K, which has the same crystal structure and similar electronic band s…

physics.chem-ph2015★ 223 cited

Direct Observation of Long Electron-Hole Diffusion Distance in CH3NH3PbI3 Perovskite Thin Film

Yu Li, Weibo Yan, Yunlong Li +5

In high performance perovskite based solar cells, CH3NH3PbI3 is the key material. We carried out a study on charge diffusion in spin-coated CH3NH3PbI3 perovskite thin film by trans…

cond-mat.supr-con2015★ 23 cited

Superconductivity and Phase Diagram in (LiFe)OHFeSeS

X. F. Lu, N. Z. Wang, X. G. Luo +4

A series of (LiFe)OHFeSeS (0 x 1) samples were successfully synthesized via hydrothermal reaction method and the phase diagram is establis…

cond-mat.supr-con2013★ 101 cited

Superconductivity in LiFeO2Fe2Se2 with anti-PbO-type Spacer Layers

X. F. Lu, N. Z. Wang, G. H. Zhang +5

Superconductivity has been found in the iron-arsenides with different structures by alternative stacking of the conducting Fe2As2 layers and spacer layers including alkali- or alka…

cond-mat.str-el2013★ 5 cited

Honeycomb Heisenberg Spin Ladder: Unusual Ground State and Thermodynamic Properties

Yang Zhao, Wei Li, Bin Xi +5

The unusual ground state and thermodynamic properties of spin-1/2 two-leg honeycomb (HC) spin ladder are systematically studied by jointly utilizing various analytical and numerica…