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2 articles related to "First Principal Calculations"

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Articles

Mini Review

Published on 11 Nov 2022

Two-dimensional Cr-based ferromagnetic semiconductor: Theoretical simulations and design

in Chemical Physics and Physical Chemistry

Yufei Tu
Qingquan Liu
Lipeng Hou
Puyuan Shi
Chaobin Jia
Jingjuan Su
Jiawen Zhang
Xiuyun Zhang
Bing Wang

Frontiers in Physics

doi 10.3389/fphy.2022.1078202

5,029 views
7 citations

Original Research

Published on 26 Aug 2020

Cubic Hafnium Nitride: A Novel Topological Semimetal Hosting a 0-Dimensional (0-D) Nodal Point and a 1-D Topological Nodal Ring

in Theoretical and Computational Chemistry

Yang Li
Jihong Xia

Frontiers in Chemistry

doi 10.3389/fchem.2020.00727

3,774 views
11 citations