1.1k citations · 9.1k across the 61 of their papers we have counts for
18 papers · 1 filter
VASP2KP: kp models and Lande g-factors from ab initio calculations
Sheng Zhang, Haohao Sheng, Zhi-Da Song +8
The method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zee…
Obstructed surface states as the origin of catalytic activity in inorganic heterogeneous catalysts
Guowei Li, Yuanfeng Xu, Zhida Song +8
The discovery of new catalysts that are efficient, sustainable, and low-cost is a major research endeavor for many industrial chemical processes. This requires an understanding and…
Three-Dimensional Real Space Invariants, Obstructed Atomic Insulators and A New Principle for Active Catalytic Sites
Yuanfeng Xu, Luis Elcoro, Guowei Li +7
Topologically trivial insulators come in two kinds: atomic, where the Wannier charge centers (WCCs) are localized on the atoms, and obstructed atomic, where the WCCs are located aw…
Fragile topologically flat band in the checkerboard antiferromagnetic monolayer FeSe
Aiyun Luo, Zhida Song, Gang Xu
By means of the first-principles calculations and magnetic topological quantum chemistry, we demonstrate that the low energy physics in the checkerboard antiferromagnetic (AFM) mon…
Filling-Enforced Obstructed Atomic Insulators
Yuanfeng Xu, Luis Elcoro, Zhi-Da Song +6
Topological band theory has achieved great success in the high-throughput search for topological band structures both in paramagnetic and magnetic crystal materials. However, a sig…
Discovery of a quantum limit Chern magnet TbMn6Sn6
Jia-Xin Yin, Wenlong Ma, Tyler A. Cochran +23
The quantum level interplay between geometry, topology, and correlation is at the forefront of fundamental physics. Owing to the unusual lattice geometry and breaking of time-rever…
Universal Approach to Magnetic Second-Order Topological Insulator
Cong Chen, Zhida Song, Jian-Zhou Zhao +4
We propose a universal practical approach to realize magnetic second-order topological insulator (SOTI) materials, based on properly breaking the time reversal symmetry in conventi…
High-throughput calculations of magnetic topological materials
Yuanfeng Xu, Luis Elcoro, Zhida Song +6
The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in…
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…
Higher-order Topology of Axion Insulator EuInAs
Yuanfeng Xu, Zhida Song, Zhijun Wang +2
Based on first-principles calculations and symmetry analysis, we propose that EuInAs is a long awaited axion insulator with antiferromagnetic (AFM) long range order. Charac…
Catalogue of Topological Electronic Materials
Tiantian Zhang, Yi Jiang, Zhida Song +5
Topological electronic materials are new quantum states of matter hosting novel linear responses in the bulk and anomalous gapless states at the boundary, and are for scientific an…
Dirac semimetal in type IV magnetic space group
Guiyuan Hua, Simin Nie, Zhida Song +3
Analogues of the elementary particles, Dirac fermions in condensed matter have received extensive attention for both scientific interest and device applications. In this work, we g…
Double-Weyl phonons in transition-metal monosilicides
Tiantian Zhang, Zhida Song, A. Alexandradinata +4
Topological states of electrons and photons have attracted significant interest recently. Topological mechanical states also being actively explored, have been limited to macroscop…
Instability of Dirac semimetal phase under strong magnetic field
Zhida Song, Zhong Fang, Xi Dai
The quantum limit can be easily reached in the Dirac semimetals under the magnetic field, which will lead to some exotic many-body physics due to the high degeneracy of the topolog…
First principle calculation of the effective Zeeman's couplings in topological materials
Zhi-Da Song, Song Sun, Yuan-Feng Xu +4
In this paper, we propose a first principle calculation method for the effective Zeeman's coupling based on the second perturbation theory and apply it to a few topological materia…
Two-Dimensional Oxide Topological Insulator With Iron-Pnictide Superconductor LiFeAs Structure
Qiunan Xu, Zhida Song, Simin Nie +3
By using first-principles calculations, we propose that ZrSiO can be looked as a three-dimensional (3D) oxide weak topological insulator (TI) and its single layer is a long-sought-…
Large-Gap Two-Dimensional Topological Insulator in Oxygen Functionalized MXene
Hongming Weng, Ahmad Ranjbar, Yunye Liang +7
Two-dimensional (2D) topological insulator (TI) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D insulators with their nontrivi…
Quantum Spin Hall Effect in 2D Transition Metal Dichalcogenide Haeckelites
S. M. Nie, Zhida Song, Hongming Weng +1
By using first-principles calculation, we have found that a family of 2D transition metal dichalcogenide haeckelites with square-octagonal lattice -4-8 (=Mo, W and =S,…