دورية أكاديمية
أعرض في EDS

High-throughput search for magnetic and topological order in transition metal oxides.

التفاصيل البيبلوغرافية
العنوان: High-throughput search for magnetic and topological order in transition metal oxides.
المؤلفون: Frey NC; Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA 19104, USA.; Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA., Horton MK; Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.; Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, CA 94704, USA., Munro JM; Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA., Griffin SM; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.; Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA., Persson KA; Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.; Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, CA 94704, USA., Shenoy VB; Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA 19104, USA. vshenoy@seas.upenn.edu.
المصدر: Science advances [Sci Adv] 2020 Dec 09; Vol. 6 (50). Date of Electronic Publication: 2020 Dec 09 (Print Publication: 2020).
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: American Association for the Advancement of Science Country of Publication: United States NLM ID: 101653440 Publication Model: Electronic-Print Cited Medium: Internet ISSN: 2375-2548 (Electronic) Linking ISSN: 23752548 NLM ISO Abbreviation: Sci Adv Subsets: PubMed not MEDLINE; MEDLINE
أسماء مطبوعة: Original Publication: Washington, DC : American Association for the Advancement of Science, [2015]-
مستخلص: The discovery of intrinsic magnetic topological order in MnBi 2 Te 4 has invigorated the search for materials with coexisting magnetic and topological phases. These multiorder quantum materials are expected to exhibit new topological phases that can be tuned with magnetic fields, but the search for such materials is stymied by difficulties in predicting magnetic structure and stability. Here, we compute more than 27,000 unique magnetic orderings for more than 3000 transition metal oxides in the Materials Project database to determine their magnetic ground states and estimate their effective exchange parameters and critical temperatures. We perform a high-throughput band topology analysis of centrosymmetric magnetic materials, calculate topological invariants, and identify 18 new candidate ferromagnetic topological semimetals, axion insulators, and antiferromagnetic topological insulators. To accelerate future efforts, machine learning classifiers are trained to predict both magnetic ground states and magnetic topological order without requiring first-principles calculations.
(Copyright © 2020 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).)
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تواريخ الأحداث: Date Created: 20201210 Latest Revision: 20201217
رمز التحديث: 20231215
مُعرف محوري في PubMed: PMC7725452
DOI: 10.1126/sciadv.abd1076
PMID: 33298446
قاعدة البيانات: MEDLINE
الوصف
تدمد:2375-2548
DOI:10.1126/sciadv.abd1076