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.
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页数：8
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