Related papers: Magnetic tight-binding and the iron-chromium entha…
We numerically study the entanglement dynamics of free fermions on a cubic lattice with potential disorder following a quantum quench. We focus, in particular, on the metal-insulator transition at a critical disorder strength and compare…
We study the temperature-dependent optical properties of gold over a broad energy spectrum covering photon energies below and above the interband threshold. We apply a semi-analytical Drude-Lorentz model with temperature-dependent…
In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the non-random atomic-spin orientation. Different magnetic…
We measure thermodynamic magnetization of a low-disordered, strongly correlated two-dimensional electron system in silicon. Pauli spin susceptibility is observed to grow critically at low electron densities - behavior that is characteristic…
We study the magnetocaloric effect and critical behavior of Co$_2$Cr$_{1-x}$Mn$_x$Al ($x=$ 0.25, 0.5, 0.75) Heusler alloys across the ferromagnetic (FM) transition (T$_{\rm C}$). The Rietveld refinement of x-ray diffraction patterns exhibit…
Atomic-scale computational modeling of technologically relevant permanent magnetic materials faces two key challenges. First, a material's magnetic properties depend sensitively on temperature, so the calculations must account for thermally…
The electric and thermo-magneto-electric transport of the prototypical ferromagnetic transition-metal alloy system fcc-Co$_x$Pd$_{1-x}$ has been investigated on the basis of Kubo's linear response formalism. The results for the full…
Thin films of silver containing 0.3 - 1.5 at % Fe have been prepared by vapor co-deposition. Depending on substrate temperature and iron concentration we could systematically follow the formation of nanometer size clusters of iron from…
We extend a tight-binding method to include the effects of spin-orbit coupling, and apply it to the study of the electronic properties of the actinide elements Th, U, and Pu. These tight-binding parameters are determined for the fcc crystal…
Solid mercury in the rhombohedral structure is unbound within the self-consistent field (Hartree-Fock) approximation. The metallic binding is entirely due to electronic correlations. We determine the cohesive energy of solid mercury within…
Short-range order (SRO) alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion…
We study the spin magnetic moment of a single impurity embedded in a finite-size non-magnetic host exhibiting a band gap. The calculations were performed using a tight-binding model Hamiltonian. The simple criterion for the magnetic to…
We investigate the physics of a magnetic impurity with spin 1/2 in a correlated metallic host. Describing the band by a Hubbard Hamiltonian, the problem is analyzed using dynamical mean-field-theory in combination with Wilson's…
Motivated by observation of very high tunnel magnetoresistance (TMR) in Fe-MgO-Fe magnetic tunnel junction devices, we propose a theoretical model for these devices based on a single-band tight-binding approximation. An effort is made to…
Motivated by a recent experimental observation of a complex magnetic structure [Takada et al. 2013 J. Magn. Magn. Mater. 329 95] we present a theoretical study of the magnetic structure of an Fe monolayer deposited on Rh(001). We use a…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
Spin-dependent coherent quantum transport through carbon nanotubes (CNT) is studied theoretically within a tight-binding model and the Green's function partitioning technique. End-contacted metal/nanotube/metal systems are modelled and next…
Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of…
We study theoretically the influence of the temperature and disorder on the spin wave spectrum of the magnonic crystal Fe$_{1-c}$Co$_{c}$. Our formalism is based on the analysis of a Heisenberg Hamiltonian by means of the wave vector and…
We present a model of the electronic properties of monolayer transition-metal dichalcogenides based on a tight binding approach which includes the effects of strain and curvature of the crystal lattice. Mechanical deformations of the…