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  Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells

Mendive-Tapia, E., Neugebauer, J., & Hickel, T. (2022). Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B, 105(16): 064425. doi:10.1103/PhysRevB.105.064425.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000A-A6AD-8 Version Permalink: https://hdl.handle.net/21.11116/0000-000A-A6B0-3
Genre: Journal Article

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PhysRevB.105.064425.pdf (Publisher version), 4MB
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https://hdl.handle.net/21.11116/0000-000A-A6AF-6
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PhysRevB.105.064425.pdf
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Copyright Date:
2022
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Published by the American Physical Society
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http://creativecommons.org/licenses/by/4.0/

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 Creators:
Mendive-Tapia, Eduardo1, 2, Author           
Neugebauer, Jörg3, Author           
Hickel, Tilmann1, 4, Author           
Affiliations:
1Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
2Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany, ou_persistent22              
3Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
4Federal Institute for Materials Research and Testing (BAM), Richard-Willstätter-Straße 11, 12489, Berlin, Germany, ou_persistent22              

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Language(s): eng - English
 Dates: 2022-02-17
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevB.105.064425
 Degree: -

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Project name : ANR-DFG MAGIKID Project
Grant ID : HI 1300/13-1
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 105 (16) Sequence Number: 064425 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008