相关论文: Single-Molecule Magnet Mn$_{12}$ on GaAs-supported…

To understand the effect of molecular environment on the electronic and magnetic properties of the single-molecule magnet (SMM) Mn$_{12}$, we explore two possible means for adding extra electrons to molecule. We explore both substitution of…

In this work, we examine low-energy adsorption configurations of four dodecanuclear manganese single-molecule magnets [Mn$_{12}$O$_{12}$(O$_2$CR)$_{16}$(H$_2$O)$_4$] (Mn$_{12}$), where the ligand R being H, CH$_3$, CHCl$_2$ or C$_6$H$_5$,…

We investigate the effect of an external magnetic field on the physical properties of the acceptor hole states associated with single Mn acceptors placed near the (110) surface of GaAs. Crosssectional scanning tunneling microscopy images of…

The electronic structure of a monolayer of single-molecule magnets Mn$_{12}$ on a Au(111) surface is studied using spin-polarized density-functional theory. The Mn$_{12}$ molecules are oriented such that the magnetic easy axis is normal to…

Controlling magnetic anisotropy energy (MAE) in two-dimensional (2D) ferromagnetic materials is crucial for designing novel spintronic devices. Using first-principles calculations, we systematically investigate the magnetic properties of…

The realization of the Quantum anomalous Hall effect (QAHE) in two dimensional (2D) metal organic frameworks (MOFs), (MC$_4$S$_4$)$_3$ with M = Mn, Fe, Co, Ru and Rh, has been investigated based on a combination of first-principles…

Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…

Electron paramagnetic resonance (EPR) study of MBE grown Mn doped GaAs is presented. The resolved fine structure allows us to evaluate the crystal field parameters of the spin Hamiltonian. The obtained cubic constant is a= -14.1 10^-4/cm.…

We study the effect of uniaxial pressure on the magnetic hysteresis loops of the single-molecule magnet Mn_{12}-Ac. We find that the application of pressure along the easy axis increases the fields at which quantum tunneling of…

The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…

Doped transition-metal dichalcogenides monolayers exhibit exciting magnetic properties for the benefit of two-dimensional spintronic devices. Using density functional theory (DFT) incorporating Hubbard-type of correction (DFT$+U$) to…

We present a theoretical approach to calculate the molecular magnetic anisotropy parameters, $D_M$ and $E_M$ for single molecule magnets in any eigenstate of the exchange Hamiltonian, treating the anisotropy Hamiltonian as a perturbation.…

Magic-angle twisted bilayer graphene (MATBG) is notable as a highly tunable platform for investigating strongly correlated phenomena such as high-$T_c$ superconductivity and quantum spin liquids, due to easy control of doping level through…

We have measured quantum transport through an individual Fe$_4$ single-molecule magnet embedded in a three-terminal device geometry. The characteristic zero-field splittings of adjacent charge states and their magnetic field evolution are…

It is shown that in external magnetic fields, a uniaxial magnetic anisotropy comes into being in a magnetoactive elastomer (MAE). The magnitude of the induced uniaxial anisotropy grows with the increasing external magnetic field. The filler…

The electronic structure and magnetic properties of pure and doped {Fe$_{16}$N$_2$} systems have been studied in the local-density (LDA) and quasiparticle self-consistent {\emph{GW}} approximations. The {\emph{GW}} magnetic moment of pure…

We investigated the effect of an electric field on the interface magnetic anisotropy of a thin MgO/Fe/MgO layer using density functional theory. The perpendicular magnetic anisotropy energy (MAE) increases not only under electron depletion…

The capacity to externally manipulate magnetic properties is highly desired from both fundamental and technological perspectives, particularly in the development of magnetoelectronics and spintronics devices. Here, using first-principles…

Graphene is an attractive electrode material to contact nanostructures down to the molecular scale since it can be gated electrostatically. Gating can be used to control the doping and the energy level alignment in the nanojunction, thereby…

In this work, compositions of CeFe11X and CeFe10X2 with all 3d, 4d, and 5d transition metal substitutions are considered. Since many previous studies have focused on the CeFe11Ti compound, this particular compound became the starting point…