Tunable magnetic order in transition metal doped, layered, and anisotropic Bi2O2Se: Competition between exchange interaction mechanisms

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F19%3A10242873" target="_blank" >RIV/61989100:27740/19:10242873 - isvavai.cz</a>

Result on the web

<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.100.054438" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.100.054438</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.100.054438" target="_blank" >10.1103/PhysRevB.100.054438</a>

Result language

angličtina

Original language name

Tunable magnetic order in transition metal doped, layered, and anisotropic Bi2O2Se: Competition between exchange interaction mechanisms

Original language description

Bi2O2Se is a novel layer-structured material with high electron mobility, while its efficiency could be greatly improved by doping different elements to introduce a magnetic spin order. We investigated the electronic and magnetic properties of various transition metal (TM) (TM = Mn, Cr, Fe, Co, and Ni) doped Bi2O2Se within a framework of density functional theory (DFT), and discovered that Bi2-nXnO2Se exhibits long-range magnetic ordered structure via competition among double-exchange, p-d exchange, and superexchange interaction. The magnetic order of the bulk phase in which the magnetic atoms form interlayer coupling would vary with the type and concentration of doped atoms, but all the layered phases in which the magnetic atoms are in-plane coupled show ferromagnetic order. By combing DFT calculations with the Monte Carlo scheme, we solve the exchange interaction constants for the Heisenberg model and further evaluate the Curie temperatures of Bi2-nXnO2Se. Ferromagnetic order for most doped systems exhibit to be robust with high Curie temperature, some of which overcomes room temperature (for 12.5% Co-doped layer Bi2O2Se). It is also worth mentioning that the appearance of impurity energy levels narrows the band gap and enhances the spin-orbit coupling of d orbitals and therefore increase large magnetic anisotropy energy. Our study demonstrates a potential pathway to design new dilute magnetic semiconductors through doping of Bi2-nXnO2Se by magnetic transitional elements.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2019

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical review B

ISSN

2469-9950

e-ISSN

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Volume of the periodical

100

Issue of the periodical within the volume

5

Country of publishing house

US - UNITED STATES

Number of pages

10

Pages from-to

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UT code for WoS article

000482580300006

EID of the result in the Scopus database

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