Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101472
Title: Control of magnetic interactions between surface adatoms via orbital repopulation
Authors: Badrtdinov, D. I.
Rudenko, A. N.
Katsnelson, M. I.
Mazurenko, V. V.
Issue Date: 2020
Publisher: IOP Publishing Ltd
Citation: Control of magnetic interactions between surface adatoms via orbital repopulation / D. I. Badrtdinov, A. N. Rudenko, M. I. Katsnelson, et al. — DOI 10.1088/2053-1583/ab93ab // 2D Materials. — 2020. — Vol. 7. — Iss. 4. — 045007.
Abstract: We propose a reversible mechanism for switching Heisenberg-type exchange interactions between deposited transition metal adatoms from ferromagnetic to antiferromagnetic. Using first-principles calculations, we show that this mechanism can be realized for cobalt atoms on the surface of black phosphorus by making use of electrically-controlled orbital repopulation, as recently demonstrated by scanning probe techniques [Nat. Commun. 9, 3904 (2018)]. We find that field-induced repopulation not only affects the spin state, but also causes considerable modification of exchange interaction between adatoms, including its sign. Our model analysis demonstrates that variable adatom-substrate hybridization is a key factor responsible for this modification. We perform quantum simulations of inelastic tunneling characteristics and discuss possible ways to verify the proposed mechanism experimentally. © 2020 IOP Publishing Ltd.
Keywords: FIRST-PRINCIPLES CALCULATIONS
HEISENBERG MODEL
IETS SIMULATIONS
MAGNETIC INTERACTIONS SWITCHING
SURFACE ADATOMS
BLACK PHOSPHORUS
CALCULATIONS
EXCHANGE INTERACTIONS
QUANTUM CHEMISTRY
TRANSITION METALS
ANTIFERROMAGNETICS
FIRST-PRINCIPLES CALCULATION
INELASTIC TUNNELING
MAGNETIC INTERACTIONS
MODEL ANALYSIS
QUANTUM SIMULATIONS
REVERSIBLE MECHANISMS
SCANNING PROBE TECHNIQUES
ADATOMS
URI: http://hdl.handle.net/10995/101472
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85089309220
PURE ID: 13682962
aa868b5f-7962-4789-9e7f-e3d2a630933d
ISSN: 20531583
DOI: 10.1088/2053-1583/ab93ab
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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