605 citations · 1.4k across the 28 of their papers we have counts for
20 papers · 1 filter
Methods of electron transport in ab initio theory of spin stiffness
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We present an ab initio theory of the spin-wave stiffness tensor for ordered and disordered itinerant ferromagnets with pair exchange interactions derived from a method of infinite…
Ab initio theory of the spin-dependent conductivity tensor and the spin Hall effect in random alloys
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We present an extension of the relativistic electron transport theory for the standard (charge) conductivity tensor of random alloys within the tight-binding linear muffin-tin orbi…
Electronic entropy in Green's-function calculations at finite temperatures
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We revise critically existing approaches to evaluation of thermodynamic potentials within the Green's function calculations at finite electronic temperatures. We focus on the entro…
Coherence and stiffness of spin waves in diluted ferromagnets
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We present results of a numerical analysis of magnon spectra in supercells simulating two-dimensional and bulk random diluted ferromagnets with long-ranged pair exchange interactio…
Fermi sea term in the relativistic linear muffin-tin-orbital transport theory for random alloys
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We present a formulation of the so-called Fermi sea contribution to the conductivity tensor of spin-polarized random alloys within the fully relativistic tight-binding linear muffi…
The influence of oxygen and hydrogen adsorption on the magnetic structure of the ultrathin iron film on the Ir(001) surface
Frantisek Maca, Josef Kudrnovsky, Vaclav Drchal +1
We present a detailed ab initio study of the electronic structure and magnetic order of an Fe monolayer on the Ir(001) surface covered by adsorbed oxygen and hydrogen. The results…
Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from ab initio alloy theory
Ilja Turek, Josef Kudrnovsky, Karel Carva
We present results of systematic fully relativistic first-principles calculations of the uniaxial magnetic anisotropy energy (MAE) of a disordered and partially ordered tetragonal…
Ab initio theory of galvanomagnetic phenomena in ferromagnetic metals and disordered alloys
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We present an ab initio theory of transport quantities of metallic ferromagnets developed in the framework of the fully relativistic tight-binding linear muffin-tin orbital method.…
Pressure dependence of Curie temperature and resistivity in complex Heusler alloys
S. K. Bose, J. Kudrnovsky, V. Drchal +1
Using first-principles electronic structure calculations, we have studied the dependence of the Curie temperature on external hydrostatic pressure for random Ni2MnSn Heusler alloys…
Magnetic phase stability of monolayers: Fe on Ta(x)W(1-x) (001) random alloy as a case study
Martin Ondracek, Olivier Bengone, Josef Kudrnovsky +3
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are e…
Substrate-induced antiferromagnetism of an Fe monolayer on the Ir(001) surface
Josef Kudrnovsky, Frantisek Maca, Ilja Turek +1
We present detailed ab initio study of structural and magnetic stability of a Fe-monolayer on the fcc(001) surface of iridium. The Fe-monolayer has a strong tendency to order antif…
Magnetism without magnetic impurities in oxides ZrO2 and TiO2
Frantisek Maca, Josef Kudrnovsky, Vaclav Drchal +1
We perform a theoretical study of the magnetism induced in transition metal dioxides ZrO2 and TiO2 by substitution of the cation by a vacancy or an impurity from the groups 1A or 2…
Ordering effects in diluted magnetic semiconductors
Josef Kudrnovský, V. Drchal, Georges Bouzerar +1
We review recently developed two-step approach for description of electronic and magnetic properties of a new class of materials, the diluted magnetic semiconductors. In the first…
Magnetic order of FeMn alloy on the W(001) surface
M. Ondracek, J. Kudrnovsky, F. Maca
We investigate theoretically the ground state of the FeMn binary alloy monolayer on the W(001) surface, the stability of different magnetic configurations (ferro/antiferromagnetic,…
Chemical ordering and composition fluctuations at the (001) surface of the Fe-Ni Invar alloy
M. Ondracek, F. Maca, J. Kudrnovsky +5
We report on a study of (001) oriented fcc Fe-Ni alloy surfaces which combines first-principles calculations and low-temperature STM experiments. Density functional theory calculat…
Magnetism of 3d transition metal atoms on W(001): submonolayer films
M. Ondracek, J. Kudrnovsky, I. Turek +1
We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximat…
Compositional Dependence of Formation Energies of Substitutional and Interstitial Mn in Partially Compensated (Ga,Mn)As
J. Masek, I. Turek, J. Kudrnovsky +2
We use the density-functional theory to calculate the total energy of mixed crystals (Ga,Mn)As with a small concentration of various donors. We find that the formation energy of Mn…
Ab initio study of Curie temperatures of diluted III-V magnetic semiconductors
J. Kudrnovsky, I. Turek, V. Drchal +3
The electronic structure of diluted (Ga,Mn)As magnetic semiconductors in the presence of As-antisites and magnetic disorder is studied within the framework of the local spin densit…
Correlated Doping in Semiconductors: The Role of Donors in III-V Diluted Magnetic Semiconductors
J. Masek, I. Turek, V. Drchal +2
We investigate the compositional dependence of the total energy of the mixed crystals (Ga,Mn)As co-doped with As, Sn, and Zn. Using the ab initio LMTO-CPA method we find a correlat…
Lattice constant in diluted magnetic semiconductors (Ga,Mn)As
J. Masek, J. Kudrnovsky, F. Maca
We use the density-functional calculations to investigate the compositional dependence of the lattice constant of (Ga,Mn)As containing various native defects. The lattice constant…