Electronic and Magnetic Properties of BaFeO(3)on the Pt(111) Surface in a Quasicrystalline Approximant Structure

Waheed A. Adeagbo; I.V. Maznichenko; Hichem Ben Hamed; I. Mertig; Arthur Ernst; Wolfram Hergert

doi:10.1002/pssb.201900649

Electronic and Magnetic Properties of BaFeO(3)on the Pt(111) Surface in a Quasicrystalline Approximant Structure

Waheed A. Adeagbo, I.V. Maznichenko, Hichem Ben Hamed, I. Mertig, Arthur Ernst, Wolfram Hergert

Department of Many Particle Systems

Research output: Contribution to journal › Article › peer-review

Abstract

Perovskite-like ABO(3)oxides A = (Ca, Sr, Ba) and B = (Ti, Mn, Fe, Co, Ni) show a large variety of structures and physical properties. Among them is BaTiO3(BTO), one of the most investigated and used perovskites. In a BTO film on Pt(111), the first oxide quasicrystal was discovered. Herein, by means of first-principle methods, the cubic and hexagonal phases of bulk BaFeO3(BFO) are investigated. Both phases show ferromagnetic order. Monolayers and double layers of BFO are studied on a Pt(111) surface. The double-layer configuration of the cubic and hexagonal phases is structurally inequivalent but both double-layer films show antiferromagnetic order. In analogy to the BTO quasicrystal approximant structure on Pt(111), a corresponding BFO structure is investigated. The Fe atoms are surrounded by three oxygen atoms and the resulting FeO(3)units are separated by barium atoms with the total stoichiometry Ba5Fe4O12.

Original language	English
Article number	1900649
Pages (from-to)	1900649
Number of pages	9
Journal	Physica Status Solidi B: Basic Research
Volume	257
Issue number	7
DOIs	https://doi.org/10.1002/pssb.201900649
Publication status	Published - Jul 2020

Fields of science

103 Physics, Astronomy

JKU Focus areas

Digital Transformation

Access to Document

10.1002/pssb.201900649

Cite this

@article{9f73adefa2a0491d899b3629d185a5bb,

title = "Electronic and Magnetic Properties of BaFeO(3)on the Pt(111) Surface in a Quasicrystalline Approximant Structure",

abstract = "Perovskite-like ABO(3)oxides A = (Ca, Sr, Ba) and B = (Ti, Mn, Fe, Co, Ni) show a large variety of structures and physical properties. Among them is BaTiO3(BTO), one of the most investigated and used perovskites. In a BTO film on Pt(111), the first oxide quasicrystal was discovered. Herein, by means of first-principle methods, the cubic and hexagonal phases of bulk BaFeO3(BFO) are investigated. Both phases show ferromagnetic order. Monolayers and double layers of BFO are studied on a Pt(111) surface. The double-layer configuration of the cubic and hexagonal phases is structurally inequivalent but both double-layer films show antiferromagnetic order. In analogy to the BTO quasicrystal approximant structure on Pt(111), a corresponding BFO structure is investigated. The Fe atoms are surrounded by three oxygen atoms and the resulting FeO(3)units are separated by barium atoms with the total stoichiometry Ba5Fe4O12.",

author = "Adeagbo, {Waheed A.} and I.V. Maznichenko and {Ben Hamed}, Hichem and I. Mertig and Arthur Ernst and Wolfram Hergert",

year = "2020",

month = jul,

doi = "10.1002/pssb.201900649",

language = "English",

volume = "257",

pages = "1900649",

journal = "Physica Status Solidi B: Basic Research",

issn = "1521-3951",

publisher = "Wiley-VCH Verlag Berlin GmbH",

number = "7",

}

TY - JOUR

T1 - Electronic and Magnetic Properties of BaFeO(3)on the Pt(111) Surface in a Quasicrystalline Approximant Structure

AU - Adeagbo, Waheed A.

AU - Maznichenko, I.V.

AU - Ben Hamed, Hichem

AU - Mertig, I.

AU - Ernst, Arthur

AU - Hergert, Wolfram

PY - 2020/7

Y1 - 2020/7

N2 - Perovskite-like ABO(3)oxides A = (Ca, Sr, Ba) and B = (Ti, Mn, Fe, Co, Ni) show a large variety of structures and physical properties. Among them is BaTiO3(BTO), one of the most investigated and used perovskites. In a BTO film on Pt(111), the first oxide quasicrystal was discovered. Herein, by means of first-principle methods, the cubic and hexagonal phases of bulk BaFeO3(BFO) are investigated. Both phases show ferromagnetic order. Monolayers and double layers of BFO are studied on a Pt(111) surface. The double-layer configuration of the cubic and hexagonal phases is structurally inequivalent but both double-layer films show antiferromagnetic order. In analogy to the BTO quasicrystal approximant structure on Pt(111), a corresponding BFO structure is investigated. The Fe atoms are surrounded by three oxygen atoms and the resulting FeO(3)units are separated by barium atoms with the total stoichiometry Ba5Fe4O12.

AB - Perovskite-like ABO(3)oxides A = (Ca, Sr, Ba) and B = (Ti, Mn, Fe, Co, Ni) show a large variety of structures and physical properties. Among them is BaTiO3(BTO), one of the most investigated and used perovskites. In a BTO film on Pt(111), the first oxide quasicrystal was discovered. Herein, by means of first-principle methods, the cubic and hexagonal phases of bulk BaFeO3(BFO) are investigated. Both phases show ferromagnetic order. Monolayers and double layers of BFO are studied on a Pt(111) surface. The double-layer configuration of the cubic and hexagonal phases is structurally inequivalent but both double-layer films show antiferromagnetic order. In analogy to the BTO quasicrystal approximant structure on Pt(111), a corresponding BFO structure is investigated. The Fe atoms are surrounded by three oxygen atoms and the resulting FeO(3)units are separated by barium atoms with the total stoichiometry Ba5Fe4O12.

U2 - 10.1002/pssb.201900649

DO - 10.1002/pssb.201900649

M3 - Article

SN - 1521-3951

VL - 257

SP - 1900649

JO - Physica Status Solidi B: Basic Research

JF - Physica Status Solidi B: Basic Research

IS - 7

M1 - 1900649

ER -