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most citedVASPKIT: A User-friendly Interface Facilitating High-throughput Computing and Analysis Using VASP Code

7.9k citations

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cond-mat.mtrl-sci2026★ 1 cited

Dielectric, magnetic, and magnetodielectric behaviors of BaFe12O19 hexaferrite modulated by Mn and Ti substitutions

Xiao-Fan Zhang, Yang Yang, Ze-Qing Guo +4

We prepared Mn- and Ti mono-doped and co-doped BaFe12O19 hexaferrites via solid-state reaction to investigate the interplay between magnetic and dielectric properties. Mn2+ ions pr…

cond-mat.mtrl-sci2023★ 10 cited

Electric-field-induced formation and annihilation of skyrmions in two-dimensional magnet

Jingman Pang, Hongjia Wang, Yufei Tang +2

Electric manipulation of skyrmions in 2D magnetic materials has garnered significant attention due to the potential in energy-efficient spintronic devices. In this work, using firs…

cond-mat.mtrl-sci2022★ 3 cited

Group Theory Analysis of Phonons in Monolayer Chromium Trihalides and Their Janus Structures

Y. C. Liu, H. B. Niu, J. B. Lin +1

A contrastive investigation of the symmetry aspects of phonons in monolayer chromium trihalides and their Janus structures Y-Cr-X (X, Y = F, Cl, Br, I) by group theory…

cond-mat.mtrl-sci2021★ 18 cited

A new 2D auxetic CN2 nanostructure with high energy density and mechanical strength

Qun Wei, Ying Yang, Alexander Gavrilov +1

The existence of a new two dimensional CN2 structure was predicted using ab-initio molecular dynamics (AIMD) and density-functional theory calculations. It consists tetragonal and…

cond-mat.mtrl-sci2020★ 1 cited

Angle-dependence of interlayer coupling in twisted transition metal dichalcogenide heterobilayers

W. T. Geng, V. Wang, J. B. Lin +2

We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the inter…

cond-mat.mtrl-sci2019★ 7.9k cited

VASPKIT: A User-friendly Interface Facilitating High-throughput Computing and Analysis Using VASP Code

Vei Wang, Nan Xu, Jin Cheng Liu +2

We present the VASPKIT, a command-line program that aims at providing a powerful and user-friendly interface to perform high-throughput analysis of a variety of material properties…