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20232026
most citedVASP2KP: kp models and Lande g-factors from ab initio calculations

20 citations · 22 across the 9 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

6 papers · 1 filter

cond-mat.mtrl-sci2026

Entropy-Driven Structural Phase Transition in NbCl via Density Functional Theory and an Effective Model

Chenjie Zhu, Shuai Zhang, Zhong Fang +3

As a prototypical flat-band cluster Mott insulator on an effective triangular lattice, NbCl is a potential candidate for hosting a quantum spin liquid (QSL) state. Neverthe…

cond-mat.mtrl-sci2026

Nonsymmorphic Time-Reversal-Doubled Axion Insulators

Yue Xie, Haohao Sheng, Quansheng Wu +4

The axion insulator exhibits a topological magnetoelectric effect characterized by an axion angle , while the time-reversal-doubled axion insulator (T-DAXI) can be viewed as t…

cond-mat.mtrl-sci2025★ 1 cited

IRSSG: An Open-Source Software Package for Spin Space Groups

Sheng Zhang, Ziyin Song, Zhong Fang +2

We present an open-source software package IRSSG for investigating magnetic systems with spin space groups (SSGs). The package works within the density functional theory (DFT) fram…

cond-mat.mtrl-sci2025

Spin-polarized triplet excitonic insulators in Ta3X8 (X=I, Br) monolayers

Haohao Sheng, Jingyu Yao, Sheng Zhang +5

Bose-Einstein condensation of spin-polarized triplet excitons can give rise to an intriguing spin supercurrent, enabling experimental detection of exciton condensation. In this wor…

cond-mat.mtrl-sci2025

Manipulation of topological phase transitions and the mechanism of magnetic interactions in Eu-based Zintl-phase materials

Bo-Xuan Li, Ziyin Song, Zhong Fang +2

Various topological phases, including topological insulators, topological semimetals, and topological superconductors, along with the controllable topological phase transitions, ha…

cond-mat.mtrl-sci2023★ 20 cited

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…