TY - JOUR

T1 - Topological Phase Transitions Driven by Sn Doping in (Mn1−xSnx)Bi2Te4

AU - Tarasov, Artem V.

AU - Makarova, Tatiana P.

AU - Estyunin, Dmitry A.

AU - Eryzhenkov, Alexander V.

AU - Klimovskikh, Ilya I.

AU - Golyashov, Vladimir A.

AU - Kokh, Konstantin A.

AU - Tereshchenko, Oleg E.

AU - Shikin, Alexander M.

N1 - The authors acknowledge support by the Saint Petersburg State University (Grant No. 94031444), Russian Science Foundation (Grant No. 22-72-10074) in the part of theoretical calculations and ARPES measurements and Grant No. 22-12-20024 in the part of the crystal growth. Публикация для корректировки.

PY - 2023/2

Y1 - 2023/2

N2 - The antiferromagnetic ordering that MnBi (Formula presented.) Te (Formula presented.) shows makes it invariant with respect to the combination of the time-reversal and primitive-lattice translation symmetries, giving rise to its topologically nontrivial nature and a number of fundamental phenomena. At the same time, the possibility to control the electronic and magnetic properties of this system can provide new effective ways for its application in devices. One of the approaches to manipulate MnBi (Formula presented.) Te (Formula presented.) properties is the partial substitution of magnetic atoms in the compound with atoms of non-magnetic elements, which inevitably affect the interplay of magnetism and band topology in the system. In this work, we have carried out theoretical modelling of changes in the electronic structure that occur as a result of increasing the concentration of Sn atoms at Mn positions in the (Mn (Formula presented.) Sn (Formula presented.))Bi (Formula presented.) Te (Formula presented.) compound both using Korringa–Kohn–Rostoker (KKR) Green’s function method as well as the widespread approach of using supercells with impurity in DFT methods. The calculated band structures were also compared with those experimentally measured by angle-resolved photoelectron spectroscopy (ARPES) for samples with x values of 0, (Formula presented.), (Formula presented.), (Formula presented.) and (Formula presented.). We assume that the complex hybridization of Te-p (Formula presented.) and Bi-p (Formula presented.) orbitals with Sn and Mn ones leads to a non-linear dependence of band gap on Sn content in Mn positions, which is characterized by a plateau with a zero energy gap at some concentration values, suggesting possible topological phase transitions in the system.

AB - The antiferromagnetic ordering that MnBi (Formula presented.) Te (Formula presented.) shows makes it invariant with respect to the combination of the time-reversal and primitive-lattice translation symmetries, giving rise to its topologically nontrivial nature and a number of fundamental phenomena. At the same time, the possibility to control the electronic and magnetic properties of this system can provide new effective ways for its application in devices. One of the approaches to manipulate MnBi (Formula presented.) Te (Formula presented.) properties is the partial substitution of magnetic atoms in the compound with atoms of non-magnetic elements, which inevitably affect the interplay of magnetism and band topology in the system. In this work, we have carried out theoretical modelling of changes in the electronic structure that occur as a result of increasing the concentration of Sn atoms at Mn positions in the (Mn (Formula presented.) Sn (Formula presented.))Bi (Formula presented.) Te (Formula presented.) compound both using Korringa–Kohn–Rostoker (KKR) Green’s function method as well as the widespread approach of using supercells with impurity in DFT methods. The calculated band structures were also compared with those experimentally measured by angle-resolved photoelectron spectroscopy (ARPES) for samples with x values of 0, (Formula presented.), (Formula presented.), (Formula presented.) and (Formula presented.). We assume that the complex hybridization of Te-p (Formula presented.) and Bi-p (Formula presented.) orbitals with Sn and Mn ones leads to a non-linear dependence of band gap on Sn content in Mn positions, which is characterized by a plateau with a zero energy gap at some concentration values, suggesting possible topological phase transitions in the system.

KW - ab initio calculations

KW - antiferromagnetic topological insulator

KW - doping

KW - electronic structure

KW - topological phase transitions

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85149237884&origin=inward&txGid=6f4d3caf29dd70ec90632a70e77363de

UR - https://www.mendeley.com/catalogue/d578dbfb-461f-3435-a21e-cda8174727be/

U2 - 10.3390/sym15020469

DO - 10.3390/sym15020469

M3 - Article

VL - 15

JO - Symmetry

JF - Symmetry

SN - 2073-8994

IS - 2

M1 - 469

ER -