Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO

Peitao Liu; Cesare Franchini; Martijn Marsman; Georg Kresse

doi:10.1088/1361-648X/ab4150

Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO

Peitao Liu (Korresp. Autor*in), Cesare Franchini, Martijn Marsman, Georg Kresse

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Aufsatznummer	015502
Seiten (von - bis)	015502
Seitenumfang	11
Fachzeitschrift	Journal of Physics: Condensed Matter
Jahrgang	32
Ausgabenummer	1
Frühes Online-Datum	11 Okt. 2019
DOIs	https://doi.org/10.1088/1361-648X/ab4150
Publikationsstatus	Veröffentlicht - 1 Jan. 2020

ÖFOS 2012

103015 Kondensierte Materie
103018 Materialphysik

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10.1088/1361-648X/ab4150Lizenz: CC BY 3.0

https://arxiv.org/abs/1902.05025

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Verknüpfung zur Publikation in Scopus

ViCoM II: Vienna Computational Materials Laboratory
Süss, D., Kresse, G., Held, K., Verstraete, F., Burgdorfer, J., Mauser, N., Blaha, P., Mohn, P., Podloucky, R., Dellago, C. & Resch, A.
1/06/10 → 30/06/19
Projekt: Forschungsförderung

Zitationsweisen

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author = "Peitao Liu and Cesare Franchini and Martijn Marsman and Georg Kresse",

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Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO. / Liu, Peitao (Korresp. Autor*in); Franchini, Cesare; Marsman, Martijn et al.
in: Journal of Physics: Condensed Matter, Band 32, Nr. 1, 015502, 01.01.2020, S. 015502.

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

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AU - Franchini, Cesare

AU - Marsman, Martijn

AU - Kresse, Georg

PY - 2020/1/1

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KW - INSULATING GAP

KW - OPTICAL-PROPERTIES

KW - OXIDES

KW - SCHEMES

KW - band gap

KW - density functional theory

KW - dielectric constant

KW - hybrid functionals

KW - transition-metal monoxides

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U2 - 10.1088/1361-648X/ab4150

DO - 10.1088/1361-648X/ab4150

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SN - 0953-8984

VL - 32

SP - 015502

JO - Journal of Physics: Condensed Matter

JF - Journal of Physics: Condensed Matter

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Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO

ÖFOS 2012

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Projekte

ViCoM II: Vienna Computational Materials Laboratory

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