相关论文: Bismuth iron garnet: ab initio study of electronic…

Bulk bismuth presents outstanding optical properties, such as a giant infrared refractive index (n near 10) and a negative ultraviolet visible permittivity induced by giant interband electronic transitions. Although such properties are very…

First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…

The propagation of magnons along a symmetry path may depend on the direction of propagation, similar to many other quasiparticles in nature. This phenomenon is commonly referred to as nonreciprocity. In addition to the fact that it is of…

The structural and magnetic properties of spinel compounds $CoB_2O_4$ (B=Cr,Mn and Fe) are studied using the DFT+U method and generalized gradient approximation (GGA). We concentrate on understanding the trends in the properties of these…

We combined optical spectroscopy and first principles electronic structure calculations to reveal the charge gap in the polar magnet Fe$_2$Mo$_3$O$_8$. Iron occupation on the octahedral site draws the gap strongly downward compared to the…

We investigated the electronic and optical properties of bilayer AB stacked Boron and Nitrogen vacancies in hexagonal Boron Nitride (h-BN) using density functional theory (DFT). The density of states (DOS) and electronic band structure…

Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…

We present the exact solution of a one-dimensional model of a spin-gapped correlated electron system with hybridization impurities exhibiting both magnetic and mixed-valence properties. The host supports superconducting fluctuations, with a…

We investigate the exchange coupling between a ferrimagnetic insulator (FI) thulium iron garnet (TmIG) deposited on a gadolinium gallium garnet (GGG) substrate, which shows perpendicular magnetic anisotropy and a ferromagnetic metal (FMM)…

Spin Seebeck effect refers to the magnonic thermal spin injection from a magnet into the adjacent heavy metal. A ferrimagnetic insulator yttrium iron garnet (YIG) is the material most studied for the spin Seebeck effect. Here, to account…

We study the proximity effect in hybrid structures consisting of superconductor and ferromagnetic insulator separated by a normal diffusive metal (S/N/FI structures). These stuctures were proposed to realize the absolute spin-valve effect.…

We investigate the structural and electronic origin of antiferromagnetic (AFM) coupling in the Yttrium iron garnet (YIG) and permalloy (Py) bilayer system at the atomic level. Ferromagnetic Resonance (FMR) reveal unique hybrid modes in…

We report the preparation of the interface between graphene and the strong Rashba-split BiAg$_2$ surface alloy and investigatigation of its structure as well as the electronic properties by means of scanning tunneling…

Spin-charge interconversion in systems with spin-orbit coupling has provided a new route for the generation and detection of spin currents in functional devices for memory and logic such as spin-orbit torque switching in magnetic memories…

The spin-density functional theory (DFT) and DFT+$U$ with Hubbard $U$ term accounting for on-site Coulomb interactions were applied to investigate structure, stability, and electronic properties of different terminations of the…

By means of first-principles density-functional theory (DFT) calculations, we perform a comparative analysis of the electronic and magnetic properties of transition metal-doped TiO$_2$. The electronic band gaps of Ti$_x$M$_{1-x}$O$_2$,…

Manipulating physical properties using the spin degree of freedom constitutes a major part of modern condensed matter physics and is very important for spintronics devices. Using the newly discovered two dimensional van der Waals…

Metals exhibit a size-dependent hardening when subject to indentation. Mechanisms for this phenomenon have been intensely researched in recent times. Does such a size-effect also exist in the electromechanical behavior of…

Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve…

The structural, cohesive, electronic and optical properties of mixed SiGe:H quantum dots are studied by Density Functional Theory (DFT) calculations on a representative ensemble of medium size nanoparticles of the form…