Sampling Polymorphs of Ionic Solids using Random Superlattices

Stevanovic, Vladan

doi:10.1103/PhysRevLett.116.075503

Title: Sampling Polymorphs of Ionic Solids using Random Superlattices

Journal Article · Fri Feb 19 00:00:00 EST 2016 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.116.075503· OSTI ID:1241582

Stevanovic, Vladan

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD); National Renewable Energy Lab. (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: AC36-08GO28308

OSTI ID:: 1241582

Report Number(s):: NREL/JA-5K00-65700

Journal Information:: Physical Review Letters, Vol. 116, Issue 7; Related Information: Physical Review Letters; ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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Polymorphism in elemental silicon: Probabilistic interpretation of the realizability of metastable structures Jones, Eric B.; Stevanović, Vladan Physical Review B, Vol. 96, Issue 18 https://doi.org/10.1103/physrevb.96.184101	journal	November 2017
Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis Stevanović, Vladan; Trottier, Ryan; Musgrave, Charles Physical Review Materials, Vol. 2, Issue 3 https://doi.org/10.1103/physrevmaterials.2.033802	journal	March 2018
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14 SOLAR ENERGY
36 MATERIALS SCIENCE
polymorphs
metastability
structure prediction
random structure sampling

Title: Sampling Polymorphs of Ionic Solids using Random Superlattices

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References (32)

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