相关论文: Effects of the crystal structure on the ferromagne…

The properties of neutral acceptor states in zinc-blende semiconductors are re-examined in the frame of extended-basis $sp^3d^5s^*$ tight-binding model. The symmetry discrepancy between envelope function theory and atomistic calculations is…

We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NPD) measurements. This compound stabilizes in the monoclinic…

Fe-doped ZnO nanocrystals are successfully synthesized and structurally characterized by using x-ray diffraction and transmission electron microscopy. Magnetization measurements on the same system reveal a ferromagnetic to paramagnetic…

We report on the structural and magnetic characterization of Co0.1Zn0.9O and Mn0.1Zn0.9O nanopowders obtained by a soft chemistry route. We show that those samples fired at low temperatures display a ferromagnetic interaction that can not…

Understanding the effects of electron-electron interactions in half metallic magnets (HMs), which have band structures with one gapped spin channel and one metallic channel, poses fundamental theoretical issues as well as having importance…

We study the two-impurity Anderson model for a semiconductor host using the quantum Monte Carlo technique. We find that the impurity spins exhibit ferromagnetic correlations with a range which can be much more enhanced than in a half-filled…

The magnetic coupling between doped Mn atoms in clusters as well as crystals of GaN has been studied from first principles using molecular orbital theory for clusters and linearized muffin tin orbitals-tight binding formulation (LMTO-TB)…

The breakdown of the Kondo effect may be the origin of the anomalous properties of the heavy-fermion compounds at low temperatures. We study the dynamics of one impurity embedded in an antiferromagnetic host at the quantum critical point…

It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C2 spin=1 dimers as well as the…

We study impurity bound states and impurity-induced order in the superconducting state of LiFeAs within a realistic five-band model based on the band structure and impurity potentials obtained from density functional theory (DFT). In…

Using the hybrid exchange-correlation functional within the density-functional theory, we have systematically investigated the structural and electronic properties of MO (M = Be, Mg, Ca, Sr, Ba, Zn, Cd) in binary rocksalt (B1), zincblende…

We present results of a density functional theory study of MnO in the wurtzite structure. Our motivation is provided by recent experiments reporting ferromagnetism in Mn-doped wurtzite structure ZnO. We find that wurtzite MnO a) is not…

We study quantum Hall ferromagnets in the presence of a random electrostatic impurity potential, within the framework of a classical non-linear sigma model. We discuss the behaviour of the system using a heuristic picture for the…

Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…

This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…

We report spin polarized density functional calculations of ferromagnetic properties of a series of ZnO clusters and solid containing one or two substitutional carbon impurities. We analyze the eigen value spectra, spin densities and…

We present a systematic ab initio study based on density-functional calculations to understand impurity effects in iron-based superconductors. Effective tight-binding Hamiltonians for the d-bands of LaFeAsO with various transition-metal…

The possibility that the apparent room temperature ferromagnetism, often measured in Co-doped ZnO, is due to uncompensated spins at the surface of wurtzite CoO nanoclusters is investigated by means of a combination of density functional…

We study quantum Hall ferromagnets in the presence of a random electrostatic impurity potential. Describing these systems with a classical non-linear sigma model and using analytical estimates supported by results from numerical…

An effect of paramagnetic impurity located in a vicinity of a quantum well (QW) on spin polarization of the carriers in the QW is analyzed theoretically. Within approach of Bardeen's tunneling Hamiltonian the problem is formulated in terms…