相关论文: Substrate effects in the magneto-optical second-ha…
The discovery of atomically thin two-dimensional (2D) magnetic semiconductors has triggered enormous research interest recently. In this work, we use first-principles many-body perturbation theory to study a prototypical 2D ferromagnetic…
Due to the absence of interlayer coupling and inversion symmetry, transition metal dichalcogenide (MX$_2$) semiconductor monolayers exhibit novel properties that are distinctly different from their bulk crystals such as direct optical band…
The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to…
A study of the multilayer system MgO/CoFeB(1.1nm)/Ta($t$)/CoFeB(0.8nm)/MgO is presented, where the two CoFeB layers are separated by a Ta interlayer of varying thickness $t$. The magnetization properties deduced from complementary…
An $\it{ab \,\, initio}$ based fully microscopic approach is applied to study the nonlinear optical response of bulk Tellurium. The structural and electronic properties are calculated from first principles using the shLDA-1/2 method within…
The influence of second-order magneto-optic effects on Kerr effect magnetometry of epitaxial exchange coupled FeMn/NiFe-bilayers is investigated. A procedure for separation of the first- and second-order contributions is presented. The full…
We report on the optical characterization of non-magnetic metal/ferromagnetic (Co$_{20}$Fe$_{60}$B$_{20}$)/MgO heterostructures and interfaces by using mid infrared spectroscopic ellipsometry at room temperature. We extracted for the…
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features of a heterojunction is the proper band alignment between the two materials. Estimation of the correct relative band positions with…
Magneto-optical effects like Kerr and Faraday rotations provide a direct probe of topological order in thin films of the magnetic topological insulator MnBi$_2$Te$_4$ (MBT). Motivated by recent experimental studies of spin-flip/flop…
Ni/Cu(001) is known as a unique system showing the spin-reorientation transition from an in-plane to out-of-plane magnetization direction when the Ni-overlayer thickness is increased. We investigate different relaxed multilayer structures…
Recently, there has been growing interest in achieving on-demand control of magnetism through electrical and optical means. In this work, we provide first-principles predictions for the linear and nonlinear Edelstein effects (LEE and NLEE)…
We report on the linear and nonlinear optical response of metamaterials evoked by first and second order multipoles. The analytical ground on which our approach bases permits for new insights into the functionality of metamaterials. For the…
First-principles calculations have been performed in order to determine effective exchange integrals between {\it strongly} and {\it weakly} exchange-coupled Co monolayers in certain modulated periodic $CoCu_2/CoCu_n$-type superlattices…
Plasmonic metasurfaces are promising as enablers of nanoscale nonlinear optics and flat nonlinear optical components. Nonlinear optical responses of such metasurfaces are determined by the nonlinear optical properties of individual…
Through systematics density functional calculations, the mechanism of the substrate induced spin reorientation transition in FePc/O-Cu(110) was explained in terms of charge transfer and rearrangement of Fe-d orbitals. Moreover, we found…
We present a detailed ab initio study of the electronic structure and magnetic order of an Fe monolayer on the Ir(001) surface covered by adsorbed oxygen and hydrogen. The results are compared to the clean Fe/Ir(001) system, where recent…
The symmetry-induced magnetic anisotropy due to monoatomic steps at strained Ni films is determined using results of first - principles relativistic full-potential linearized augmented plane wave (FLAPW) calculations and an analogy with the…
Magnetoelectric phenomena are intimately linked to relativistic effects and also require the material to break spatial inversion symmetry and time reversal invariance. Magnetoelectric coupling can substantially affect light-matter…
The surface atomic and electronic structure after deposition of 1/3 monolayer (ML) Te on Cu(111) was determined using a combination of low-energy electron diffraction (LEED), scanning tunneling microscopy and spectroscopy (STM/STS),…
A-type antiferromagnetism, with an in-plane ferromagnetic order and the interlayer antiferromagnetic coupling, owns inborn advantages for electrical manipulations but is naturally rare in real materials except in those artificial…