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20192023
most citedIrvsp: to obtain irreducible representations of electronic states in the VASP

365 citations · 810 across the 18 of their papers we have counts for

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13 papers · 1 filter

cond-mat.mtrl-sci2023★ 19 cited

Evidence for an Excitonic Insulator State in TaPdTe

Jierui Huang, Bei Jiang, Jingyu Yao +30

The excitonic insulator (EI) is an exotic ground state of narrow-gap semiconductors and semimetals arising from spontaneous condensation of electron-hole pairs bound by attractive…

cond-mat.mtrl-sci2022★ 6 cited

Interaction Driven Topological Phase Transition in Monolayer CrCl(pyrazine)

Xuecong Ji, Jiacheng Gao, Changming Yue +4

The quadratic band crossing points (QBCPs) at Fermi level in two-dimension have been proposed to be unstable under electron-electron interaction. The possible interaction driven st…

cond-mat.mtrl-sci2022★ 13 cited

Magnetic band representations, Fu-Kane-like symmetry indicators and magnetic topological materials

Jiacheng Gao, Zhaopeng Guo, Hongming Weng +1

To realize novel topological phases and to pursue potential applications in low-energy consumption spintronics, the study of magnetic topological materials is of great interest. St…

cond-mat.mtrl-sci2021★ 8 cited

The evolution of Weyl nodes in Ni doped thallium niobate pyrochlore TlNiNbO

Yuefang Hu, Changming Yue, Danwen Yuan +6

Magnetic Weyl semimetal (WSM) is of great importance both for fundamental physics and potential applications due to its spontaneous magnetism, robust band topology, and enhanced Be…

cond-mat.mtrl-sci2021★ 14 cited

Twisted nodal wires and three-dimensional quantum spin Hall effect in distorted square-net compounds

Junze Deng, Dexi Shao, Jiacheng Gao +4

Recently, square-net materials have attracted lots of attention for the Dirac semimetal phase with negligible spin-orbit coupling (SOC) gap, e.g. ZrSiS/LaSbTe and CaMnSb. In th…

cond-mat.mtrl-sci2021★ 73 cited

Unconventional Materials: the mismatch between electronic charge centers and atomic positions

Jiacheng Gao, Yuting Qian, Huaxian Jia +5

The complete band representations (BRs) have been constructed in the work of topological quantum chemistry. Each BR is expressed by either a localized orbital at a Wyckoff site in…

cond-mat.mtrl-sci2021★ 24 cited

Magnetic-field modulation of topological electronic states and emergent magneto-transport in a magnetic Weyl semimetal

Jianlei Shen, Jiacheng Gao, Changjiang Yi +16

The modulation of topological electronic states by an external magnetic field is highly desired for condensed matter physics. Schemes to achieve this have been proposed theoretical…

cond-mat.mtrl-sci2020★ 55 cited

Application of topological quantum chemistry in electrides

Simin Nie, Yuting Qian, Jiacheng Gao +3

The recently developed theory of topological quantum chemistry (TQC) has built a close connection between band representations in momentum space and orbital characters in real spac…

cond-mat.mtrl-sci2020★ 24 cited

High-throughput screening for Weyl Semimetals with S Symmetry

Jiacheng Gao, Yuting Qian, Simin Nie +3

Based on irreducible representations (or symmetry eigenvalues) and compatibility relations, a material can be predicted to be a topological/trivial insulator [satisfying compatibil…

cond-mat.mtrl-sci2020★ 365 cited

Irvsp: to obtain irreducible representations of electronic states in the VASP

Jiacheng Gao, Quansheng Wu, Clas Persson +1

We present an open-source program irvsp, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation P…

cond-mat.mtrl-sci2019★ 15 cited

Weyl Semimetals with symmetry

Yuting Qian, Jiacheng Gao, Zhida Song +4

In the time-reversal-breaking centrosymmetric systems, the appearance of Weyl points can be guaranteed by an odd number of all the even/odd parity occupied bands at eight inversion…

cond-mat.mtrl-sci2019

Layer Construction of Topological Crystalline Insulator LaSbTe

Yuting Qian, Zhiyun Tan, Tan Zhang +5

Topological crystalline insulator (TCI) is one of the symmetry-protected topological states. Any TCI can be deformed into a simple product state of several decoupled two-dimensiona…

cond-mat.mtrl-sci2019★ 39 cited

Electronic structures and topological properties in nickelates NiO

Jiacheng Gao, Zhijun Wang, Chen Fang +1

After the significant discovery of the hole-doped nickelate compound NdSrNiO, an analysis of the electronic structure, orbital components, Fermi surfaces and ba…