Descriptor-based crystal structure prediction of magnetic transition metals: Orbital-spin occupancy rule-Reference-Cited by-同舟云学术

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Descriptor-based crystal structure prediction of magnetic transition metals: Orbital-spin occupancy rule

Published:2018-06 Issue:6 Volume:8 Page:065020
ISSN:2158-3226
Container-title:AIP Advances
language:en
Short-container-title:AIP Advances

Author:

Jin Taewon¹^ORCID,Ji Hyo Seok¹,Lee Young Joo²,Kim Joo Young²,Kwon S. K.³,Lee Changhoon¹⁴^ORCID,Shim Ji Hoon¹⁴⁵

Affiliation:

1. Department of Chemistry, Pohang University of Science and Technology, Pohang 37673, Korea

2. Research Institute of Industrial Science and Technology, Pohang 37673, Korea

3. Graduate Institute of Ferrous Technology, Pohang University of Science and Technology, Pohang 37673, Korea

4. Division of Advanced Nuclear Engineering, Pohang University of Science and Technology, Pohang 37673, Korea

5. Department of Physics, Pohang University of Science and Technology, Pohang 37673, Korea

Publisher

AIP Publishing

Subject

General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5034508

Reference30 articles.

1. Generalized-gradient-approximation study of the magnetic and cohesive properties of bcc, fcc, and hcp Mn

2. Electronic structure and magnetism in compressed 3d transition metals

3. Combined Electronic Structure and Evolutionary Search Approach to Materials Design

4. Theory of the crystal structures of transition metals

5. Magnetic ground state properties of transition metals

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2. Classifying Intermetallic Tetragonal Phase of All-d-Metal Heusler Alloys for Catalysis Applications;Topics in Catalysis;2021-10-28

3. Accelerated crystal structure prediction of multi-elements random alloy using expandable features;Scientific Reports;2021-03-04

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