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

20 citations · 102 across the 17 of their papers we have counts for

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13 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

Disentangling Anomalous Hall Effect Mechanisms and Extra Symmetry Protection in Altermagnetic Systems

Yuansheng Bu, Ziyin Song, Zhong Fang +2

We investigate the evolution of Anomalous Hall Conductivity (AHC) in a coplanar and collinear antiferromagnetic system with varying spin canting angles. A tight-binding model based…

cond-mat.mtrl-sci2025★ 2 cited

Topological nontrivial berry phase in altermagnet CrSb

Jianhua Du, Xin Peng, Yuzhi Wang +12

The study of topological properties in magnetic materials has long been one of the forefront research areas in condensed matter physics. CrSb, as a prototypical candidate material…

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

General First-Principles Approach to Crystals in Finite Magnetic Fields

Chengye Lü, Yingwei Chen, Yuzhi Wang +5

We introduce a general first-principles methodology for computing electronic structure in a finite uniform magnetic field which allows for an arbitrary rational magnetic flux and n…

cond-mat.mtrl-sci2025

A Framework for Understanding Colossal Magnetoresistance and Complex Resistivity Behaviors in Magnetic Semiconductor

Zhihao Liu, Zhong Fang, Hongming Weng +1

Colossal magnetoresistance (CMR) is commonly observed in magnetic semiconductors when an external magnetic field is applied, usually accompanied by anomalous resistivity peaks or h…

cond-mat.mtrl-sci2024★ 18 cited

Scaling Behavior of Magnetoresistance and Hall Resistivity in Altermagnet CrSb

Xin Peng, Yuzhi Wang, Shengnan Zhang +14

The discovery of altermagnet (AM) marks a significant advancement in magnetic materials, combining characteristics of both ferromagnetism and antiferromagnetism. In this Letter, we…

cond-mat.mtrl-sci2024★ 15 cited

Universal Scaling Behavior of Transport Properties in Non-Magnetic RuO

Xin Peng, Zhihao Liu, Shengnan Zhang +16

As a prototypical altermagnet, RuO has been subject to many controversial reports regarding its magnetic ground state and the existence of crystal Hall effects. We obtained h…

cond-mat.mtrl-sci2024★ 7 cited

The inadequacy of the -T curve for phase transitions in the presence of magnetic fields

Shengnan Zhang, Zhong Fang, Hongming Weng +1

The curve is traditionally employed to discern metallic, semiconductor, and insulating behaviors in materials, with any deviations often interpreted as indicative of phase t…

cond-mat.mtrl-sci2024★ 12 cited

First-principles methodology for studying magnetotransport in narrow-gap semiconductors: an application to Zirconium Pentatelluride ZrTe5

Hanqi Pi, Shengnan Zhang, Yang Xu +3

The origin of anomalous resistivity peak and accompanied sign reversal of Hall resistivity of ZrTe has been under debate for a long time. Although various theoretical models ha…

cond-mat.mtrl-sci2024★ 14 cited

A combined First-principles and Boltzmann transport theory methodology for studying magnetotransport in magnetic materials

Zhihao Liu, Shengnan Zhang, Zhong Fang +2

Unusual magnetotransport behaviors, such as temperature-dependent negative magnetoresistance (MR) and bowtie-shaped MR, have puzzled us for a long time. Although several mechanisms…

cond-mat.mtrl-sci2024★ 11 cited

Excitonic Instability in Ta2Pd3Te5 Monolayer

Jingyu Yao, Haohao Sheng, Ruihan Zhang +7

By systematic theoretical calculations, we have revealed an excitonic insulator (EI) in the Ta2Pd3Te5 monolayer. The bulk Ta2Pd3Te5 is a van der Waals (vdW) layered compound, where…

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…