相关论文: First-principles approach to lattice-mediated magn…
The electric and magnetic properties of (BaTiO$_3$)$_n$/(CaMnO$_3$)$_n$ short-period superlattices are studied by the first-principles calculations. The local electric polarizations in the CaMnO$_3$ layers are significant, comparable to…
Dielectric constant measurement under magnetic field is an efficient technique to study the coupling between charges and spins in insulating materials. For magnetic oxides, the geometric frustration is known to be a key ingredient to…
Using a combination of first-principles and magnetization-dynamics calculations, we study the effect of the intense optical excitation of phonons on the magnetic behavior in insulating magnetic materials. Taking the prototypical…
Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form ${\rm (Insulator)/(LaMnO_3)_n/(CaMnO_3)_n/(Insulator)}$ show strong…
Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form ${\rm (Insulator)/(LaMnO_3)_n/(CaMnO_3)_n/(Insulator)}$ show strong…
We propose a linear-combination-of-pseudo-atomic-orbitals scheme for a finite electric field method based on the modern theory of polarization. We derive the matrix elements of the effective potential for the field and the corresponding…
We propose a microscopic magneto-electric model in which the coupling between spins and electric dipoles is mediated by lattice distortions. The magnetic sector is described by a spin S=1/2 Heisenberg model coupled directly to the lattice…
We discuss a model that considers the bulk composite as a homogeneous medium with piezoelectric and magnetostrictive subsystems. We solve combined elastostatic, electrostatic and magnetostatic equations to obtain effective composite…
The present paper proposes the direct calculation of the microscopic contributions to the magneto-electric coupling, using ab initio methods. The electrostrictive and the Dzyaloshinskii-Moriya contributions were evaluated individually. For…
The magnetoelectric coupling effect serves as a crucial bridge between electrical and magnetic order parameters in condensed matter physics, forming the physical basis for the development of next-generation low-power information storage and…
Using first principles calculations within DFT based on the full potential APW+lo method, we calculated the electronic and magnetic structures for the ferromagnetic and antiferromagnetic states of La2MnNiO6 and analyzed the site projected…
We present a simple two-dimensional model in which the lattice degrees of freedom mediate the interactions between magnetic moments and electric dipoles. This model reproduces basic features, such as a sudden electric polarization…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
Magnetoelectric composites integrate the coupling between magnetic and piezoelectric materials to create new functionalities for potential technological applications. This coupling is typically achieved through the exchange of magnetic,…
We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive…
The influence of vacancies in the $C$ sub-lattice of $MgCNi_{3}$, on its structural, electronic and magnetic properties are studied by means of the density-functional based Korringa-Kohn-Rostoker Green's function method formulated in the…
In a recent study Viskadourakis et al. discovered that extremely underdoped La_2CuO_(4+x) is a relaxor ferroelectric and a magnetoelectric material at low temperatures. It is further observed that the magnetoelectric response is anisotropic…
We introduce the notion of inverse effect of magnetostriction for magnetostrictive/piezoelectric heterostructures and study this effect theoretically and experimentally. It is shown that the inverse effect of magnetostriction may crucially…
An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
It is shown that external magnetic field or magnetization induces electric polarization of microscopic isolated magnetic/non-magnetic hybrid structures due to the spin-dependent electron redistribution and mutual capacity. The…