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作品数：74被引量：79H指数：5
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相关机构：北京大学中国科学技术大学更多>>
相关期刊：《Optoelectronics Letters》《Theoretical & Applied Mechanics Letters》《Asian Journal of Social Pharmacy》《Science China Chemistry》更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家高技术研究发展计划更多>>
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Quantum anomalous hall effect in collinear antiferromagnetism
《npj Computational Materials》2023年第1期1655-1660,共6页Peng-Jie Guo Zheng-Xin Liu Zhong-Yi Lu 
This work was financially supported by the NSF of China(No.12204533,No.12134020,No.11974421 and No.11934020.
The two-dimensional Quantum Hall effect with no external magnetic field is called the Quantum anomalous Hall (QAH) effect. Sofar, experimentally realized QAH insulators all exhibit ferromagnetic order and the QAH effe...
关键词：MATERIALS EFFECT EFFECT 
High-throughput first-principle prediction of collinear magnetic topological materials
《npj Computational Materials》2022年第1期2490-2497,共8页Yunlong Su Jiayu Hu Xiaochan Cai Wujun Shi Yunyouyou Xia Yuanfeng Xu Xuguang Xu Yulin Chen Gang Li 
This work is supported by the Shanghai Technology Innovation Action Plan 2020-Integrated Circuit Technology Support Program(Project No.20DZ1100605);the National Natural Science Foundation of China under Grant No.11874263,Sino-German mobility program(M-0006);the National Key R&D Program of China(2017YFE0131300);W.S.wants to thank the financial support of the Science and Technology Commission of Shanghai Municipality(STCSM)(Grant No.22ZR1441800),Shanghai-XFEL Beamline Project(SBP)(31011505505885920161A2101001)。
The success of topological band theory and symmetry-based topological classification significantly advances our understanding of the Berry phase.Based on the critical concept of topological obstruction,efficient theor...
关键词：MATERIALS TOPOLOGICAL SYMMETRY 
Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe被引量：7
《npj Computational Materials》2022年第1期107-112,共6页Ivan Novikov Blazej Grabowski Fritz Körmann Alexander Shapeev 
We acknowledge support from the collaborative DFG-RFBR Grant(Grants no.DFG KO 5080/3-1,DFG GR 3716/6-1,and RFBR 20-53-12012);B.G.acknowledges the support by the Stuttgart Center for Simulation Science(SimTech)and funding from the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation programme(grant agreement No.865855).
We present the magnetic Moment Tensor Potentials(mMTPs),a class of machine-learning interatomic potentials,accurately reproducing both vibrational and magnetic degrees of freedom as provided,e.g.,from first-principles...
关键词：MAGNETIC fluctuating STATES 
Author Correction:Possible ground states and parallel magnetic-field-driven phase transitions of collinear antiferromagnets
《npj Computational Materials》2020年第1期561-561,共1页Hai-Feng Li 
The original version of the published Article omitted the following statement from the Acknowledgements section:H.-F.Li.acknowledges the start-up research grant(Grant No.SRG2016-00091-FST)at the University of Macao an...
关键词：knowledge STATEMENT ground 
High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory被引量：5
《npj Computational Materials》2019年第1期588-598,共11页Matthew Kristofer Horton Joseph Harold Montoya Miao Liu Kristin Aslaug Persson 
This work was also supported as part of the Computational Materials Sciences Program funded by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,under Award Number DE-SC0014607;Integration with the Materials Project infrastructure was supported by the U.S.Department of Energy,Office of Science,Office of Basic Energy Sciences,Materials Sciences and Engineering Division under Contract No.DE-AC02-05-CH11231(Materials Project program KC23MP);This research used resources of the National Energy Research Scientific Computing Center(NERSC),a U.S.Department of Energy Office of Science User Facility operated under Contract No.DE-AC02-05CH11231.
We present a robust,automatic high-throughput workflow for the calculation of magnetic ground state of solid-state inorganic crystals,whether ferromagnetic,antiferromagnetic or ferrimagnetic,and their associated magne...
关键词：state GROUND FERROMAGNETIC 
Possible ground states and parallel magnetic-field-driven phase transitions of collinear antiferromagnets
《npj Computational Materials》2016年第1期36-43,共8页Hai-Feng Li 
Understanding the nature of all possible ground states and especially magnetic-field-driven phase transitions of antiferromagnets represents a major step towards unravelling the real nature of interesting phenomena su...
关键词：TRANSITIONS magnetic phase 
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