TY - JOUR

T1 - Spin Splitting in Systems Described by Magnetic Rod Groups

AU - Egorov, Sergei A.

AU - Litvin, Daniel B.

AU - Bandura, Andrei V.

AU - Evarestov, Robert A.

N1 - Publisher Copyright: © 2022 American Chemical Society. All rights reserved.

PY - 2022/3/15

Y1 - 2022/3/15

N2 - In this paper we report the classification of all 394 magnetic rod groups into seven spin splitting prototypes, in analogy to a similar classification previously reported for the 1651 magnetic space groups and 528 magnetic layer groups. According to this classification, electrically induced (Pekar-Rashba) spin splitting is possible in the antiferromagnetic (AFM) structures described by magnetic rod groups of type I (no antiunitary operations) and type III, both in the presence and in the absence of the space inversion operation. A novel symmetry-based procedure is proposed for determining spin projection distribution in nanorods. DFT calculations are performed for cobalt oxide based nanorods with magnetic symmetry P63mc (type I) and P63′mc′ (type III), corresponding to two different AFM spin distributions over cobalt atoms. In agreement with group-theoretical analysis, a colossal spin splitting (on the order of electronvolts) is obtained for the nanorod described by the magnetic symmetry group of type I.

AB - In this paper we report the classification of all 394 magnetic rod groups into seven spin splitting prototypes, in analogy to a similar classification previously reported for the 1651 magnetic space groups and 528 magnetic layer groups. According to this classification, electrically induced (Pekar-Rashba) spin splitting is possible in the antiferromagnetic (AFM) structures described by magnetic rod groups of type I (no antiunitary operations) and type III, both in the presence and in the absence of the space inversion operation. A novel symmetry-based procedure is proposed for determining spin projection distribution in nanorods. DFT calculations are performed for cobalt oxide based nanorods with magnetic symmetry P63mc (type I) and P63′mc′ (type III), corresponding to two different AFM spin distributions over cobalt atoms. In agreement with group-theoretical analysis, a colossal spin splitting (on the order of electronvolts) is obtained for the nanorod described by the magnetic symmetry group of type I.

UR - http://www.scopus.com/inward/record.url?scp=85127368134&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/73febdfb-010a-30a7-bcc3-162d5ffec11b/

U2 - 10.1021/acs.jpcc.2c00911

DO - 10.1021/acs.jpcc.2c00911

M3 - Article

AN - SCOPUS:85127368134

VL - 126

SP - 5362

EP - 5367

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 11

ER -