Dzyaloshinskii-Moriya interaction induced magnetoelectric coupling in a tetrahedral molecular spin-frustrated system

被引：4

作者：

Yu, Jie-Xiang ^{[1
]}

Chen, Jia ^{[1
]}

Sullivan, Neil ^{[1
,2
,3
]}

Cheng, Hai-Ping ^{[1
]}

机构：

[1] Univ Florida, Dept Phys, Ctr Mol Magnet Quantum Mat & Quantum Theory Projec, Gainesville, FL 32611 USA

[2] Univ Florida, Dept Phys, Gainesville, FL 32611 USA

[3] Univ Florida, Ctr Mol Magnet Quantum Mat, Gainesville, FL 32611 USA

来源：

PHYSICAL REVIEW B | 2022年 / 106卷 / 05期

关键词：

TOTAL-ENERGY CALCULATIONS; WAVE; MULTIFERROICS; POLARIZATION; CONSTANTS;

D O I：

10.1103/PhysRevB.106.054412

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have investigated magnetoelectric (ME) coupling in the single-molecule magnet Mn4Te4(PEt3)4 with tetrahedral spin frustration. Our density functional studies found that an electric dipole moment can emerge with various noncollinear spin orderings. The forms of spin-dependent dipole are determined and consistent with that in noncentrosymmetric magnets driven by the Dzyaloshinskii-Moriya interaction. Writing a parameterized spin Hamiltonian, after solving for eigenvalues and eigenstates, we quantified the ME coupling by calculating the thermal average of the electric and magnetic susceptibilities, which can be influenced by external magnetic and electric fields, respectively. The quadratic relations are expected to be observable in experiments.

引用

页数：8

共 37 条

[11] Giant Magnetoelectric Coupling and Magnetic-Field-Induced Permanent Switching in a Spin Crossover Mn(III) Complex
Jakobsen, Vibe B.
Chikara, Shalinee
Yu, Jie-Xiang
Dobbelaar, Emiel
Kelly, Conor T.
Ding, Xiaxin
Weickert, Franziska
Trzop, Elzbieta
Collet, Eric
Cheng, Hai-Ping
Morgan, Grace G.
Zapf, Vivien S.
[J]. INORGANIC CHEMISTRY, 2021, 60 (09) : 6167 - 6175
[12] Spin current and magnetoelectric effect in noncollinear magnets
Katsura, H
Nagaosa, N
Balatsky, AV
[J]. PHYSICAL REVIEW LETTERS, 2005, 95 (05)
[13] Dynamical magnetoelectric coupling in helical magnets
Katsura, Hosho
Balatsky, Alexander V.
Nagaosa, Naoto
[J]. PHYSICAL REVIEW LETTERS, 2007, 98 (02)
[14] Spiral magnets as magnetoelectrics
Kimura, T.
[J]. ANNUAL REVIEW OF MATERIALS RESEARCH, 2007, 37 : 387 - 413
[15] THEORY OF POLARIZATION OF CRYSTALLINE SOLIDS
KINGSMITH, RD
VANDERBILT, D
[J]. PHYSICAL REVIEW B, 1993, 47 (03): : 1651 - 1654
[16] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G
Furthmuller, J
[J]. PHYSICAL REVIEW B, 1996, 54 (16): : 11169 - 11186
[17] From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G
Joubert, D
[J]. PHYSICAL REVIEW B, 1999, 59 (03): : 1758 - 1775
[18] Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Kresse, G
Furthmuller, J
[J]. COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) : 15 - 50
[19] ANISOTROPIC SUPEREXCHANGE INTERACTION AND WEAK FERROMAGNETISM
MORIYA, T
[J]. PHYSICAL REVIEW, 1960, 120 (01): : 91 - 98
[20] Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865

← 1 2 3 4 →