Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism
Author:
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.102.144101/fulltext
Reference57 articles.
1. Advances in Density-Functional Calculations for Materials Modeling
2. First-Principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials
3. Advancing density functional theory to finite temperatures: methods and applications in steel design
4. Efficient approach to compute melting properties fully from ab initio with application to Cu
5. First-principles calculations for point defects in solids
Cited by 16 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Effects of Mn doping on electronic and quantum transport in PbPdO2 thin films;RSC Advances;2024
2. A self-adaptive first-principles approach for magnetic excited states;Quantum Frontiers;2023-12-04
3. Constraining spin directions in density functional theory calculations by imposing a local magnetic field;Physical Review B;2023-06-27
4. Atomic diffusion in bcc Fe–Mn alloys: Theoretical analysis and experimental measurements across the Curie temperature;Acta Materialia;2023-06
5. Defect modeling and control in structurally and compositionally complex materials;Nature Computational Science;2023-03-31
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3