相关论文: Metallic Surface Reconstruction Driven by Frustrat…
Based on ab initio calculations we determine the features and relative stability of different models proposed to describe the $(2 \times 2)$-FeO(111) reconstruction. Our results suggest that both wurtzite and spinel-like environments are…
A spin-1/2 antiferromagnetic(AFM) generalised ladder model is constructed which consists of four-spin plaquettes, coupled through weaker exchange interactions, to two-spin rungs. In an extended parameter regime, the exact ground state of…
We demonstrate that the presence of a supporting substrate can break the symmetry of a metamaterial structure, changing the symmetry of its effective parameters, and giving rise to bianisotropy. This indicates that magneto-electric coupling…
We report on a novel reconstruction of the alpha-boron (111) surface, discovered using an ab initio evolution structure search, and reveal that it has an unexpected neat structure and much lower surface energy than the recently proposed…
We study thermodynamic properties of an antiferromagnetic Ising model on the inverse perovskite lattice by using Monte Carlo simulations. The lattice structure is composed of corner-sharing octahedra and contains three-dimensional…
Magnetic anisotropy is a key parameter to describe the exchange bias effect in heterostructures. In this paper, we describe explicit density functional calculations of the magnetic structure of an interface between the industrially…
We study topological crystalline insulators doped with magnetic impurities, in which ferromagnetism at the surface lowers the electronic energy by spontaneous breaking of a crystalline symmetry. The number of energetically equivalent ground…
We computationally demonstrate Stoner-ferromagnetic half-metals and antiferromagnetic Mott-Hubbard insulators in metal-free 2D polymers. Coupling radicaloid (hetero)triangulene monomers via strong covalent bonds preserving the in-plane…
We investigate the phase diagram of a two-band frustrated Hubbard model in the framework of dynamical mean field theory. While a first-order phase transition occurs from a paramagnetic (PM) metal to an antiferromagnetic (AF) insulator when…
Antiferromagnetic and ferro/ferrimagnetic orders are typically exclusive in nature, thus, their co-existence in atomic-scale proximity is expected only in heterostructures. Breaking this paradigm and broadening the range of unconventional…
We study the $q$-state Potts antiferromagnet with $q=3$ on the honeycomb lattice. Using an analytic argument together with a Monte Carlo simulation, we conclude that this model is disordered for all $T \ge 0$. We also calculate the ground…
Ferromagnetic (FM) layers separated by nonmagnetic metallic spacer layers can exhibit Ruderman Kittel Kasuya Yosida (RKKY) coupling which may lead to a stable synthetic antiferromagnetic (SAF) phase. In this article we study magnetization…
Antiferromagnetism in stacked nanographite is investigated with using the Hubbard-type model. The A-B stacking is favorable for the hexagonal nanographite with zigzag edges, in order that magnetism appears. Next, we find that the open shell…
We study the proposed plaquette-RVB (pRVB) state in the honeycomb lattice $J_1-J_2$ model with frustration arising from next-nearest neighbour interactions. Starting with the limit of decoupled hexagons, we develop a plaquette operator…
The stability of ferromagnetism at the surface at finite temperatures is investigated within the strongly correlated Hubbard model on a semi-infinite lattice. Due to the reduced surface coordination number the effective Coulomb correlation…
Recent experiments on the silicon terminated $3\times 2$ SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the…
In this paper we present a detailed study of the antiferromagnetic classical Heisenberg model on a bilayer honeycomb lattice in a highly frustrated regime in presence of a magnetic field. This study shows strong evidence of entropic…
Rare earth/transition metal (RE/TM) multilayers with perpendicular magnetic anisotropy are key ingredients for the development of spintronic applications. Their compensation temperature depends on the ratio of the thicknesses of rare earth…
With large spin-orbit coupling, the $t_{2g}^5$ electron configuration in $d$-metal oxides is prone to highly anisotropic exchange interactions and exotic magnetic properties. In $5d^5$ iridates, given the existing variety of crystal…
A topological state with simultaneous nonzero Chern number and spin Chern number is possible for electrons on honeycomb lattice based on band engineering by staggered electric potential and antiferromagnetic exchange field in presence of…