相关论文: Superexchange interactions in AgMF4 (M = Co, Ni, C…

Motivated by recent experiments exploring the spin-orbit-coupled magnetism in $4d$- and $5d$-band transition metal oxides, we study magnetic interactions in Ir- and Rh-based compounds. In these systems, the comparable strength of spin-orbit…

Recently, the pressure has been used as external stimuli to induce structural and magnetic phase transitions in many layered quantum materials whose layers are linked by van der Waals forces. Such materials with weakly held layers allow…

The interlayer coupling between (Ga,Mn)As ferromagnetic layers in all-semiconductor superlattices is studied theoretically within a tight-binding model, which takes into account the crystal, band and magnetic structure of the constituent…

We theoretically investigate the properties of highly polar diatomic molecules containing $^2S$-state transition-metal atoms. We calculate potential energy curves, permanent electric dipole moments, spectroscopic constants, and leading…

We report studies of exchange bias and coercivity in ferromagnetic Ni$_{81}$Fe$_{19}$ layers coupled to antiferromagnetic (AF) (0001), (11$\bar{2}$0), and (11$\bar{0}$2) $\alpha$-Fe$_2$O$_3$ layers. We show that AF spin configurations which…

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the…

We consider quasi-two-dimensional gas of electrons in a typical Si-MOSFET, assuming repulsive contact interaction between electrons. Magnetisation and susceptibility are evaluated within the mean-field approach. Finite thickness of the…

Magnetic anisotropy and magnetic exchange interactions are crucial parameters that characterize the hybrid metal-organic interface, key component of an organic spintronic device. We show that the incorporation of 4$f$ RE atoms to hybrid…

Developing efficient, fast performing and thermally stable Silver iodide based fast ion conducting solids are of great interest for resistive switching applications, but still remain challenges. Metallization in bulk, behavior of threshold…

The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure…

We examine the adsorption of a single Ni atom on a monolayer of MgO on a Ag substrate using DFT and DFT+U computational approaches. We find that the electronic and magnetic properties vary considerably across the three binding sites of the…

We have analyzed the magnetic interactions of a five orbital model for iron superconductors treated both within Hartree-Fock and Heisenberg approximations. We have found that the exchange constants depend non-trivially on the Fe-As-Fe angle…

The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…

We report zero-resistivity transition and the details of magnetic transition of a layered silver oxide Ag$_5$Pb$_2$O$_6$ single crystal, which make definitive evidence of superconductivity in this compound. In the AC susceptibility of a…

The interaction between two different materials can present novel phenomena that are quite different from the physical properties observed when each material stands alone. Strong electronic correlations, such as magnetism and…

Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies and lattice constants are in excellent agreement with…

Most ferroelectric crystals have their own set of unique characteristics and ammonium sulfate (NH$_4$)$_2$SO$_4$ is no exception. We report on two previously unidentified features in ammonium sulfate: 1) that there are at least two…

12\% (wt.) silver containing catalysts were prepared by aqueous ion-exchange of Ag$^+$ against Na$^+$ in NaA zeolite. Hydrogen reduction leads to the formation of silver clusters. The results of X-ray absorption spectroscopy experiments at…

We experimentally demonstrated that the AYFFF self-assemblies adsorbed with various monovalent cations (Na+, K+, and Li+) show unexpectedly super strong paramagnetism. The key to the super strong paramagnetism lies in the hydrated…

Using ab initio band structure and model calculations we studied magnetic properties of one of the Mn$_4$ molecular magnets (Mn4(hmp)6), where two types of the Mn ions exist: Mn3+ and Mn2+. The direct calculation of the exchange constants…