Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure

Andriy Smolyanyuk; Cesare Franchini; Lilia Boeri

doi:10.1103/PhysRevB.98.115158

Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure

Andriy Smolyanyuk (Korresp. Autor*in)
, Cesare Franchini
, Lilia Boeri

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Aufsatznummer	115158
Seitenumfang	8
Fachzeitschrift	Physical Review B
Jahrgang	98
Ausgabenummer	11
DOIs	https://doi.org/10.1103/PhysRevB.98.115158
Publikationsstatus	Veröffentlicht - 27 Sept. 2018

ÖFOS 2012

103015 Kondensierte Materie

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10.1103/PhysRevB.98.115158

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

Zitationsweisen

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title = "Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure",

keywords = "TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, CHARGE-DENSITY-WAVE, CRYSTAL-STRUCTURE, SEMICONDUCTOR TRANSITION, MOLECULAR-DYNAMICS, BASIS-SET, SUPERCONDUCTIVITY, BAPB1-XBIXO3, PEROVSKITE",

author = "Andriy Smolyanyuk and Cesare Franchini and Lilia Boeri",

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T1 - Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure

AU - Smolyanyuk, Andriy

AU - Franchini, Cesare

AU - Boeri, Lilia

PY - 2018/9/27

Y1 - 2018/9/27

KW - TOTAL-ENERGY CALCULATIONS

KW - AUGMENTED-WAVE METHOD

KW - CHARGE-DENSITY-WAVE

KW - CRYSTAL-STRUCTURE

KW - SEMICONDUCTOR TRANSITION

KW - MOLECULAR-DYNAMICS

KW - BASIS-SET

KW - SUPERCONDUCTIVITY

KW - BAPB1-XBIXO3

KW - PEROVSKITE

UR - https://arxiv.org/abs/1807.05907

UR - https://www.scopus.com/pages/publications/85054193161

U2 - 10.1103/PhysRevB.98.115158

DO - 10.1103/PhysRevB.98.115158

M3 - Article

SN - 2469-9950

VL - 98

JO - Physical Review B

JF - Physical Review B

IS - 11

M1 - 115158

ER -

Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure

ÖFOS 2012

Zugriff auf Dokument

Andere Dateien und Links

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Projekte

ViCoM II: Vienna Computational Materials Laboratory

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