Record link: 
http://hdl.handle.net/20.500.12708/139194
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Title: 
Accurate First-Principles Treatment of the High-Temperature Cubic Phase of Hafnia
en
Citation: 
Bichelmaier, S., Carrete, J., Nelhiebel, M., & Madsen, G. K. H. (2022). Accurate First-Principles Treatment of the High-Temperature Cubic Phase of Hafnia. Physica Status Solidi (RRL) - Rapid Research Letters, 16(10), Article 2100642. https://doi.org/10.1002/pssr.202100642
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Publisher DOI: 
10.1002/pssr.202100642
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Publication Type: 
Article - Original Research Article
en
 
Artikel - Original Research Article
de
Language: 
English
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Authors: 
Bichelmaier, Sebastian 
Carrete, Jesús 
Nelhiebel, Michael 
Madsen, Georg K. H. 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Journal: 
physica status solidi (RRL) - Rapid Research Letters 
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ISSN: 
1862-6254
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Date (published): 
Oct-2022
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Number of Pages: 
6
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Publisher: 
WILEY-V C H VERLAG GMBH
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Peer reviewed: 
Yes
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Keywords: 
cubic hafnia; effective harmonic potentials; high-temperature density functional theory
en
Research Areas: 
Quantum Modeling and Simulation: 20%
Materials Characterization: 40%
Computational Materials Science: 40%
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Science Branch: 
1040 - Chemie: 100%
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