相关论文: Magnetism in doped two-dimensional honeycomb struc…
Some doped semiconductors have recently been shown to display superconductivity or weak ferromagnetism. Here we investigate the electronic structure and conditions for magnetism in a supercells of cubic XW_{26}O_{81}, where X=Nb,V and Re.…
The magnetic and electrical properties of nitrogen doped diamond system have been studied within the framework of a density functional theoretical approach. Spin-polarised calculations reveal that only the nitrogen doped system with…
From magnetic deflection experiments on isolated Co doped Nb clusters we made the interesting observation of some clusters being magnetic, while others appear to be non-magnetic. There are in principle two explanations for this behavior.…
Using first-principles plane wave calculations, we investigate two dimensional honeycomb structure of Group IV elements and their binary compounds, as well as the compounds of Group III-V elements. Based on structure optimization and phonon…
The magnetism in 12.5% and 25% Mn delta-doped cubic GaN has been investigated using the density-functional theory calculations. The results show that the single-layer delta-doping and half-delta-doping structures show robust ground state…
The magnetic circular dichroism of III-V diluted magnetic semiconductors, calculated within a theoretical framework suitable for highly disordered materials, is shown to be dominated by optical transitions between the bulk bands and an…
Using first principles calculations, the energetic stability of two-dimensional (2D) binary compounds $XY$ is investigated, where $X$ and $Y$ indicate the metallic element from Li to Pb in the periodic table. Here, 1081 compounds in the…
Structural and magnetic properties of the doped terbium manganites (Tb,A)MnO3 (A = Gd, Dy and Ho) have been investigated using first-principles calculations and further confirmed by subse- quent experimental studies. Both computational and…
Magnetic properties of two and three-dimensional clusters of quantum dots are studied with exact diagonalization of a generalized Hubbard model. We study the weak coupling limit, where the electrons interact only within a quantum dot and…
Structures, physical and chemical properties of V doped Co$_{13}$ clusters have been studied in detail using density functional theory based first-principles method. We have found anomalous variation in stability of the doped clusters with…
We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…
Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic…
We report the magnetic properties in the Co- and Zn-doped spin-1/2 honeycomb-lattice compound In$_3$Cu$_2$VO$_9$. The magnetic susceptibility and specific heat experiments show no long-range ordering down to 2 K in In$_3$Cu$_2$VO$_9$. In…
We use unrestricted Hartree-Fock, density matrix renormalization group, and variational projected entangled pair state calculations to investigate the ground state phase diagram of the triangular lattice Hubbard model at "half doping"…
We investigate the orbital magnetic susceptibility of the tight-binding model for the honeycomb ladder with the additional vertical hopping. Despite being one-dimensional, the magnetic flux penetrating the hexagonal rings affects the…
Magnetic properties of a mixed spin-1/2 and spin-3/2 Ising model on honeycomb lattice are investigated within the framework of an exact star-triangle mapping transformation. The particular attention is focused on the effect of uniaxial and…
The spin-fermion model was previously successful to describe the complex phase diagrams of colossal magnetoresistive manganites and iron-based superconductors. In recent years, two-dimensional magnets have rapidly raised up as a new…
Energy spectrum of electrons (holes) doped into a two-dimensional antiferromagnetic insulator is quantized in an external magnetic field of arbitrary direction. A peculiar dependence of de Haas-van Alphen (dHvA) or Shubnikov-de Haas (SdH)…
Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…
Magnetism in strongly correlated honeycomb systems with $d^5$ electronic configuration has garnered significant attention due to its potential to realize the Kitaev spin liquid state, characterized by exotic properties. However, real…