Prediction of A2BX4 metal-chalcogenide compounds via first-principles thermodynamics

Zhang, X.; Stevanović, V.; d’Avezac, M.; Lany, S.; Zunger, Alex

doi:10.1103/PhysRevB.86.014109

Prediction of $A_{2} B X_{4}$ metal-chalcogenide compounds via first-principles thermodynamics

Journal Article · Sun Jul 01 00:00:00 EDT 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.86.014109· OSTI ID:1381529

Zhang, X.; Stevanović, V.; d’Avezac, M.; Lany, S.; Zunger, Alex

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Inverse Design (CID)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: AC36-08GO28308

OSTI ID:: 1381529

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 1 Vol. 86; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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Prediction of A2BX4 metal-chalcogenide compounds via first-principles thermodynamics

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Prediction of $A_{2} B X_{4}$ metal-chalcogenide compounds via first-principles thermodynamics