605 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Czech Academy of SciencesCZ20 papers
- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicCZ13 papers
- Central European Institute of TechnologyCZ11 papers
- Masaryk UniversityCZ8 papers
- TU WienAT7 papers
- Central European Institute of Technology – Masaryk UniversityCZ5 papers
- Charles UniversityCZ5 papers
- Max-Planck-Institut für Nachhaltige MaterialienDE5 papers
- Montanuniversität LeobenAT5 papers
- Delft University of TechnologyNL4 papers
- Forschungszentrum JülichDE4 papers
- Institute of Chemistry of the Slovak Academy of SciencesSK4 papers
34 papers · 1 filter
Mesoscale FEM Model of Concrete: Statistical Assessment of Inherent Stress Concentrations in Dependence on Phase Heterogeneity
Jan Mašek, Petr Miarka
Concrete heterogeneity originates from its production process, which involves bonding aggregates with a binder matrix. This study presents a mesoscale finite element model (MFEM) t…
Intrinsic spin currents in bulk noncentrosymmetric ferromagnets
Ilja Turek
Intrinsic spin currents are encountered in noncentrosymmetric crystals without any external electric fields; these currents are caused by spin-orbit interaction. In this paper, var…
Vacancy-induced pseudo-gap formation in antiferromagnetic CrZnSb
Michael Parzer, Fabian Garmroudi, Herwig Michor +7
Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify…
Damage Localisation in Fresh Cement Mortar Observed via In Situ (Timelapse) X-ray μCT imaging
Petr Miarka, Daniel Kytýř, Petr Koudelka +1
This paper presents the outcome of a study focused on the evolution of internal damage in fresh cement mortar over 25 hours of hardening. In situ timelapse X-ray computed micro-tom…
Altermagnetism and magnetic groups with pseudoscalar electron spin
Ilja Turek
We revise existing group-theoretical approaches for a treatment of nonrelativistic collinear magnetic systems with perfect translation invariance. We show that full symmetry groups…
Orientation-related twinning and dislocation glide in a Cantor High Entropy Alloy at room and cryogenic temperature studied by in situ TEM straining
Daniela Oliveros, Anna Fraczkiewicz, Antonin Dlouhy +4
In situ straining experiments were performed in a TEM on an equimolar CoCrFeMnNi (Cantor) high entropy alloy at room and cryogenic temperature. Perfect and partial dislocation acti…
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…
Antiferromagnetic CuMnAs: Ab initio description of finite temperature magnetism and resistivity
David Wagenknecht, Karel Výborný, Karel Carva +1
Noncollinear magnetic moments in antiferromagnets (AFM) lead to a complex behavior of electrical transport, even to a decreasing resistivity due to an increasing temperature. Prope…
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
Nikola Koutná, Rainer Hahn, Jakub Zálešák +6
Superlattice architecture represents an effective strategy to improve performance of hard protective coatings. Our model system, MoN/TaN, combines materials well-known for their hi…
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…
Photo-Hall effect spectroscopy with enhanced illumination in p-Cd1-xMnxTe showing negative differential photoconductivity
A. Musiienko, R. Grill, P. Moravec +4
We studied deep levels (DLs) in p-type CdMnTe by photo-Hall effect spectroscopy with enhanced illumination. We showed that the mobility of minority and majority carriers can be ded…
Dual-wavelength Photo-Hall effect spectroscopy of deep levels in high resistive CdZnTe with negative differential photoconductivity
A. Musiienko, R. Grill, P. Moravec +6
Photo-Hall effect spectroscopy was used in the study of deep levels in high resistive CdZnTe. The monochromator excitation in the photon energy range 0.65-1.77 eV was complemented…
Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: a first-principles study
Nikola Koutná, David Holec, Martin Friák +2
Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another mat…
Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C kappa carbides
P. Dey, R. Nazarov, B. Dutta +6
Carbides play a central role for the strength and ductility in many materials. Simulating the impact of these precipitates on the mechanical performance requires the knowledge abou…
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…
Non-linear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene
C. Hüter, M. Friák, M. Weikamp +4
We investigate non-linear elastic deformations in the phase field crystal model and derived amplitude equations formulations. Two sources of non-linearity are found, one of them ba…
Nonlocal torque operators in ab initio theory of the Gilbert damping in random ferromagnetic alloys
Ilja Turek, Josef Kudrnovsky, Vaclav Drchal
We present an ab initio theory of the Gilbert damping in substitutionally disordered ferromagnetic alloys. The theory rests on introduced nonlocal torques which replace traditional…
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…
Which stresses affect the glide of screw dislocations in bcc metals?
R. Gröger
By direct application of stress in molecular statics calculations we identify the stress components that affect the glide of 1/2<111> screw dislocations in bcc tungsten. These resu…
Macroscopic Elastic Properties of Textured ZrN--AlN Polycrystalline Aggregates: From Ab initio Calculations to Grain-Scale Interactions
David Holec, Peter Wagner, Ferenc Tasnádi +4
Despite the fast development of computational materials modelling, theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from ba…
Ab initio study of point defects in NiTi-based alloys
David Holec, Martin Friák, Antonín Dlouhý +1
Changes in temperature or stress state may induce reversible B2(R) B19' martensitic transformations and associated shape memory effects in close-t…
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…
On the importance of constrained atomic relaxations in the Nudged Elastic Band calculations of the Peierls barriers of dislocations
R. Gröger, V. Vitek
We demonstrate that the straightforward application of the Nudged Elastic Band (NEB) method does not determine the correct Peierls barrier of 1/2<111> screw dislocations in BCC met…
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.…