相关论文: Optically and electrically controllable adatom spi…
The large saturation magnetization in conventional dense moment ferromagnets offers flexible means of manipulating the ordered state through demagnetizing shape anisotropy fields but these dipolar fields, in turn, limit the integrability of…
Including the orbital off-diagonal spin and charge condensates in the self consistent determination of magnetic order within a realistic three-orbital model for the $4d^4$ compound $\rm Ca_2 Ru O_4$, reveals a host of novel features…
Electrical manipulation of lattice, charge, and spin has been realized respectively by the piezoelectric effect, field-effect transistor, and electric field control of ferromagnetism, bringing about dramatic promotions both in fundamental…
We present a first-principles study on the spin denpendent conductance of five single-atom magnetic junctions consisting of a magnetic tip and an adatom adsorbed on a magnetic surface, i.e., the Co-Co/Co(001) and Ni-X/Ni(001) (X=Fe, Co, Ni,…
Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…
The pivotal role of magnetic anisotropy in stabilising two-dimensional (2D) magnetism has been widely accepted, however, direct correlation between magnetic anisotropy and long-range magnetic ordering in the 2D limit is yet to be explored.…
Here we analyze multiple symmetry-inequivalent atomic configurations across the entire composition range of the isovalent and isostructural Mo$_x$W$_{1-x}$S$_2$ alloy using density-functional theory and Monte Carlo simulations. Our results…
The common phase diagrams of superconducting iron pnictides show interesting material specificities in the structural and magnetic phase transitions. In some cases the two transitions are separate and second order, while in others they…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics.…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
Magnetic adatoms on a superconducting substrate undergo a quantum phase transition as their exchange coupling to the conduction electrons increases. For quantum spins, this transition is accompanied by screening of the adatom spin. Here, we…
Transport properties in the Kondo regime of a nanosystem displaying uniaxial magnetic anisotropy (such as a magnetic molecule, magnetic adatom or quantum dot coupled to a localized magnetic moment) are analyzed theoretically. In particular,…
Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li$_2$(Li$_{1-x}T_x$)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with…
Transition-metal dichalcogenides (TMDs) are layered compounds that support many electronic phases, including various charge density waves, superconducting, and Mott insulating states. Their intercalation with magnetic ions introduces…
We explore the magnetic properties of isolated a-b planes of trinuclear organometallic crystals, Mo3S7(dmit)3, in which an interplay of strong electronic correlations and spin molecular-orbital coupling (SMOC) occurs. The magnetic…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
We address the interaction of graphene with 3d transition metal adatoms and the formation of localized magnetic moments by means of first-principles calculations. By comparing calculations within the generalized gradient approximation (GGA)…
Adsorbate engineering is a promising route for controlling the electronic properties of monolayer transition-metal dichalcogenide materials. Here, we study shallow bound states induced by charged adatoms on MoS$_2$ using large-scale…
Magnetocrystalline anisotropy in transition metal alloys (FePt, CoPt, FePd, MnAl, MnGa, and FeCo) was studied using first-principles calculations to elucidate its specific mechanism. The tight-binding linear muffin-tin orbital method in the…
One-dimensional metal-organic chains often possess a complex magnetic structure susceptible to be modified by a alteration of their chemical composition. The possibility to tune their magnetic properties provides an interesting playground…