Institute of Physics of Materials AS CR, v. v. i. > Groups > Electrical and Magnetic Properties Group

Electrical and Magnetic Properties Group

HeadMgr. Martin Friák, Ph.D.
E-mail [javascript protected email address]
Phone number+420 532 290 400

The activities of the group are focused on:

  • theoretical studies of electronic and magnetic properties of disordered alloys, epitaxial multilayers, surfaces and interfaces as well as quantum-mechanical studies of extended defects in metallic materials

  • experimental investigations of relations among structure and magnetic, transport and mechanical properties in metallic materials

In the first topic the research encompasses several topical fields as e.g. surface magnetism, magnetic exchange coupling and spin-dependent transport in multilayered systems, magnetic properties of amorphous materials, solute segregation in bulk disordered alloys and at grain boundaries and computer simulations of atomic configurations of defects. Quantum-mechanical and quantum-statistical methods are applied to these problems, and most studies are performed from the first principles.

The second of the mentioned topics is based on broad experimental macroscopic and micro- scopic investigations of crystal structure in relation to electrical and magnetic properties, both integral and microscopic. Predominate amount of results has been obtained from applications of Mossbauer spectroscopy. Crystalline, microcrystalline, nanocrystalline and amorphous materials have been investigated. The main idea is to obtain a deeper understanding of relations between changes in crystalline structure in dependence on heat and mechanical treatment, and electrical and magnetic properties.

The most important projects in the group within last five years have been oriented on:

  • first-principles investigations of two-dimensional alloy magnetism and electron transport in magnetic multilayers

  • first-principles studies of theoretical strength, phase stability and magnetism in metals and intermetallics

  • atomistic studies of grain boundaries in metallic materials and development of relevant quantum-mechanical techniques

  • influence of method of preparation, heat and mechanical treatments on structure and properties of nanocrystalline materials

  • structure and properties of metallic and oxidic magnetic materials prepared by non- traditional technologies

  • role of defects in electrical, magnetic and mechanical properties of ordered intermetallic systems.

Special software CONFIT2000 for Mössbauer spectra treating has been created in the group.


NamePhone numbersRoomsE-mail
Mgr. Lubomír Havlíček, Ph.D. +420 532 290 462426 [javascript protected email address]
RNDr. Naděžda Pizúrová, Ph.D. +420 532 290 447306 [javascript protected email address]
Ing. Pavla Roupcová, Ph.D. +420 532 290 446305 [javascript protected email address]
Ing. Oldřich Schneeweiss, DrSc. +420 532 290 434315 [javascript protected email address]
Ing. Eva Švábenská, Ph.D. +420 532 290 436313 [javascript protected email address]
doc. RNDr. Ilja Turek, DrSc. +420 532 290 437311 [javascript protected email address]


NamePhone numbersRoomsE-mail
Michal Radkovič +420 532 290 312120

Phd students

NamePhone numbersRoomsE-mail
Mgr. Ivana Miháliková +420 532 290 475401 [javascript protected email address]
Ing. Pavel Papež +420 532 290 475401 [javascript protected email address]
MSc. Aiswarya Vijayakumar Thelappurath +420 532 290 461427 [javascript protected email address]

Diploma students

NamePhone numbersRoomsE-mail
Bc. Michal Ďuriška +420 532 290 475401
Bc. Miroslav Golian +420 532 290 475401

Project numberNameInvestigator
23-04746S Theory of magnetic systems in electric and electromagnetic fieldsdoc. RNDr. Ilja Turek, DrSc.
22-05801S Causes and mechanisms of degradation of tin-based materials with a low content of alloying elementsMgr. Martin Friák, Ph.D.
21-31852J Vlastnosti nanoprášků připravených pulzním elektronovým svazkem při nízkém tlaku plynuRNDr. Naděžda Pizúrová, Ph.D.


Project numberNameInvestigator
20-16130S Multifunctional properties of powdered Ni-Mn-Sn intermetallicsMgr. Martin Friák, Ph.D.
8J19UA037 Non-Schmid behavior of dislocations in magnesium and its alloysMgr. Andrej Ostapovec, Ph.D.
19-23411S Interplay of plasticity and magnetism in alpha-iron and chromiumdoc. Ing. Roman Gröger, Ph.D.
CZ.02.1.01/0.0/17_048/0007399 New Composite Materials for Environmental Applications (NKMEA)
18-07172S Topical problems in theory of manipulation of spin polarization in bulk and layered systemsdoc. RNDr. Ilja Turek, DrSc.
8J18AT008 Theory-guided design of novel superlattice nanocompositesMgr. Martin Friák, Ph.D.
17-22139S Theory-guided design of novel Fe-Al-based superalloysMgr. Martin Friák, Ph.D.
16-24711S Structure and properties of selected nanocomposites
16-24402S Interaction of prismatic dislocation loops in alpha iron and tungstenMgr. Jan Fikar, Ph.D.
16-14599S Mechanisms of plastic deformation and twinning interfaces in hexagonal metalsMgr. Andrej Ostapovec, Ph.D.
16-13797S Origin and mechanism of anomalous slip in non-magnetic bcc metalsdoc. Ing. Roman Gröger, Ph.D.
15-13436S Relativistic effects in the response of spin-polarized electrons to external fieldsdoc. RNDr. Ilja Turek, DrSc.
TE02000232 Special rotary machine engineering centreIng. Oldřich Schneeweiss, DrSc.
M100411202 Theoretical and experimental investigation of strength of transition-metal disilicides
7AMB12SK009 Microstructure of Fe-Al based alloys
GAP108-12-0311 Strength, embrittlement and magnetism of clean and impurity-segregated grain boundaries in metallic materials
OC10008 Strength and magnetism of composites
P204/11/1228 Theory of spin-dependent transport in magnetic solids and nanostructuresdoc. RNDr. Ilja Turek, DrSc.
P108/11/1350 Effects of cores and boundaries of nanograins on the structural and physical properties of ball milled and mechanically alloyed iron-based materials
P204/10/0255 Calculation of the Peierls barrier in bcc metals and its dependence on stressdoc. Ing. Roman Gröger, Ph.D.
Marie-Curie International Reintegration Grant (IRG), No. 247705 “MesoPhysDef” Mesoscopic framework for modeling physical processes in multiphase materials with defectsdoc. Ing. Roman Gröger, Ph.D.
OC09011 Multiscale modelling of structure and properties of nanowires
IAA100100920 Theoretical and experimental study of interfaces and martensitic phase transitions
106/08/1440 Iron and iron oxide nanoparticles with applications in the magnetic separation processesIng. Oldřich Schneeweiss, DrSc.
A100100616 Electronic structure and physical properties of materials for nanoelectronicsdoc. RNDr. Ilja Turek, DrSc.
VC 1M 0512 Research center of powdered nanomaterialsIng. Oldřich Schneeweiss, DrSc.
202/05/2111 Structure and magnetic properties of amorphous and nanocrystalline Fe(Ni)MoCuB based alloys
202/04/0583 Ab initio theory of magnetic semiconductorsdoc. RNDr. Ilja Turek, DrSc.
A1041404 Atomic ordering at surfaces and interfaces of alloys of 3d metalsIng. Oldřich Schneeweiss, DrSc.
202/04/0221 Structure, electrical and magnetic properties of nanocrystalline materials composed of carbon and 3d transition metalsIng. Oldřich Schneeweiss, DrSc.
OC 526.40, 1P04OC 526.40 Optimization of heat treatment of magnetic materials applying the thermomagnetic curves data
S2041105 Surfaces and interfaces in structural materials - applications of modern technologies and computer modellingIng. Oldřich Schneeweiss, DrSc.


Software CONFIT2000 version 4.12.39 (new): Mössbauer spectra fitting

Contact person:
This application allows a complex treatment of Mössbauer spectra starting from a setting of the background and of the individual components according to the selected model by the mouse drag-and-drop technique. It is designed for the spectroscopy of 57Fe and 119Sn isotopes with nuclear spin values of 1/2 and 3/2. An original method has been applied combining a non-linear least-squares procedure with the Fast Fourier Transform technique. An improved matrix formalism allows one to construct nearly all imaginable physical models of Mössbauer spectra supported by a computer-aided matrix model design. It is possible to introduce not only hyperfine magnetic field distributions, but now also doublets quadrupole splitting distribution with a Gaussian profile. In the connection with the distribution it is always supposed that the quadrupole interaction is much weaker than the magnetic one. When the final thickness of the sample has to be considered, the transmission integral calculation can be established. A special parameter can be introduced that characterises the increase in the width of all spectra lines in dependence on their distance from the spectrum middle (on the absolute velocity). The fitted spectra can be taken in the transmission or back-scattering (conversion electrons) geometry. The fitting process is very fast also for complicated spectra.

Quantum-mechanical (ab-initio or first-principles) methods

Contact person: Mgr. Martin Friák, Ph.D.
for electronic structure calculations

Glow Discharge Optical Emission Spectrometry (GD-OES) - GD-PROFILER 2 by HORIBA Jobin Yvon

Contact person: Ing. Eva Švábenská, Ph.D.
RF Glow Discharge Optical Emission Spectrometry (RF-GD-OES) can provide both the surface and bulk composition to all elements for almost all solid materials, including metals, metal coatings, semiconductors, polymer coatings, glass, ceramics, etc.

X-ray powder diffractometer – Empyrean

Contact person: Ing. Pavla Roupcová, Ph.D.
X-ray powder diffractometer Empyrean (PanAnalytical) with Bragg-Brentano and parallel beam geometry.

Physical Property Measurement System (PPMS©) 9T

Contact person: Ing. Oldřich Schneeweiss, DrSc.
EverCool II (2 - 400 K; 0 - 9 T)

VSM magnetometers

Contact person:
5 – 1073 K

Planetary Micro Mill PULVERISETTE 7 premium line

Contact person:
● optimal for hard, medium-hard, and britttle materials; ● 2 milling positions; ● grinding size of the bowl 80 ml; ● sample quantity 20 ml (min), 70 ml (max); ● material of grinding tools: tempered steel, stainless steel, zirconium oxide; ● dry/wet grinding process; ● milling in inert atmosphere; ● 100 up to 1100 rpm rotational speed

Mössbauer spectrometers

Contact person: Ing. Oldřich Schneeweiss, DrSc.
5 – 1300 K

Furnaces for heat treatment of materials

Contact person: Ing. Oldřich Schneeweiss, DrSc.
Oil free vacuum or gas atmosphere, up to 1300 K

Remagraph-Remacomp Combination C710

Contact person: Ing. Oldřich Schneeweiss, DrSc.
at room temperature

Spark erosion system for material synthesis

Contact person: Ing. Oldřich Schneeweiss, DrSc.
Powder production

Equipments for measurements of electrical resistivity

Contact person: Ing. Pavla Roupcová, Ph.D.
300 – 1000 K

Equipments for measurements of magnetoresistance

Contact person: Ing. Pavla Roupcová, Ph.D.
80 – 900 K, 1 T


Babutskyi A., Akram S., Bevilacqua M., Chrysanthou A., Montalvao D., Whiting M., Pizúrová N.: Improvement of cavitation erosion resistance of structural metals by alternating magnetic field treatment. Mater. & Design 226 (2023) 111630

Papež P., Zelený M., Friák M., Dlouhý I.: The effect of spin-polarization, atomic ordering and charge transfer on the stability of CoCrNi medium entropy alloy. Mater. Chem. Phys. 304 (2023) 127783

Gomez J., Ovejero-Peredes K., Méndez-Arriaga J., Pizúrová N., Filice M., Zajíčková L., Prashar S., Gómez-Ruiz S.: Organotin(IV)-decorated graphene quantum dots as dual platform for molecular imaging and treatment of triple negative breast cancer. Chemistry-A European Journal 29 (2023) e202301845

Ilves V., Pizúrová N., Korusenko P., Sokovnin S., Balezin M., Gerasimov A., Uimin M., Zuev M., Vasin A.: Effect of air annealing on properties of maghemite nanoparticles produced by radiation-chemical method . Ceram. Int. 49 (2023) 25414-25426

Milyutin V., Bureš R., Faberová M., Birčáková Z., Shishkin D., Roupcová P., Hadraba H., Kollar P., Fuzer J., Phuong D.: Multi-component soft magnetic alloy FeNiCoAl0.4Mo0.1Si0.4B0.1 with high frequency stability of permeability. Mater. Sci. Eng. B 293 (2023) 116485

Gehringer D., Friák M., Holec D.: Models of configurationally-complex alloys made simple. Computer Physics Communications 286 (2023) 108664

Sapurina I., Shishov M., Bursian A., Kompan M., Malyshkin V., Pizúrová N.: Coordination polymer based on phenazine ligands and silver with two-dimensional organization and high conductivity. Biointerface Research in Applied Chemistry 13 (2023) 447

Friák M., Nhu T., Meduňa M., Gazdová K., Pavlů J., Munzar D., Hong N.: Vacancy-induced magnetic states in TiO2 surfaces. J. Appl. Phys. 134 (2023) 013902

Kastil J., Kamarad J., Friák M., Míšek M., Dutta U., Král P., Kaman O., Arnold Z.: Cluster spin glass in off-stoichiometric Ni2.01Mn1.58Sn0.41 alloy. Intermetallics 161 (2023) 107995

Všianská M., Friák M., Šob M.: A critical comparative review of generalized gradient approximation: the ground state of Fe3Al as a test case. Model. Simul. Mater. Sci. Eng. 31 (2023) 085022

Švábenská E., Roupcová P., Schneeweiss O.: Spectroscopic methods in the analysis of wear particles. Chemical Papers 77 (2023) -

Král L., Chesalkin A., Čermák J., Roupcová P., Prusov E.: Influence of Fe on the hydrogen storage properties of LaCeNi alloys. Langmuir 39 (2023) 6061-6068

Gomez J., Sulleiro M., Pizúrová N., Bednařík A., Lepcio P., Holec D., Preisler J., Zajíčková L.: Spontaneous formation of carbon dots helps to distinguish molecular fluorophores species. Appl. Surf. Sci. 610 (2023) 155536

Gomez J., Díaz-Sánchez M., Pizúrová N., Zajíčková L., Prashar S., Gómez-Ruiz S.: Crystalline F-doped titanium dioxide nanoparticles decorated with graphene quantum dots for improving the photodegradation of water pollutants. Journal of Photochemistry & Photobiology, A: Chemistry 443 (2023) 114875

Babinský T., Šulák I., Kuběna I., Man J., Weiser A., Švábenská E., Englert L., Guth S.: Thermomechanical fatigue of additively manufactured 316L stainless steel. Mater. Sci. Eng. A 869 (2023) 144831


Friák M., Zelený M., Mazalová M., Miháliková I., Turek I., Kastil J., Kamarad J., Míšek M., Arnold Z., Schneeweiss O., Šob M.: The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy. Intermetallics 151 (2022) 107708

Friák M., Masničák N., Schneeweiss O., Roupcová P., Michalcová A., Msallamová Š., Šob M.: Multi-methodological study of temperature trends in Mössbauer effect in Sn. Comp. Mater. Sci. 215 (2022) 111780

Gomez J., Sulleiro M., Dolečková A., Pizúrová N., Medalová J., Bednařík A., Preisler J., Nečas D., Zajíčková L.: Structure elucidation of multicolor emissive graphene quantum dots towards cell guidance. Materials Chemistry Frontiers 6 (2022) 145-154

Friák M., Černý M., Šob M.: Temperature-dependent impact of antiphase boundaries on properties of Fe3Al. Intermetallics 151 (2022) 107746

Miháliková I., Friák M., Pivoluska M., Plesch M., Saip M., Šob M.: Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule. Molecules 27 (2022) 597

Michal L., Roy R., Holec D., Gomez J., Pizúrová N., Nečas D., Dolečková A., Medalová J., Lepcio P., Zajíčková L.: Long-Range Magnetic Order in Nickel Hydroxide-Functionalized Graphene Quantum Dots. J.Phys.Chem.Lett. 13 (2022) 11536-11542

Čermák J., Král L., Roupcová P.: Hydrogen storage in TiVCrMo and TiZrNbHf multiprinciple-element alloys and their catalytic effect upon hydrogen storage in Mg. Renewable Energy 188 (2022) 411-424

Švábenská E., Roupcová P., Friák M., Schneeweiss O.: Nanoparticles from brake pads wear. Nanocon 2022 Conference proceedings 2022 (2022) 249-254

Hlaváček A., Křivánková J., Brožková H., Weisová J., Pizúrová N., Foret F.: Absolute Counting Method with Multiplexing Capability for Estimating the Number Concentration of Nanoparticles Using Anisotropically Collapsed Gels. Anal. Chem. 94 (2022) 14340-14348

Friák M., Mazalová M., Turek I., Schneeweiss O., Kastil J., Kamarad J., Šob M.: Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study. Mater. Trans. 63 (2022) 430-435

Pizúrová N., Buršík J., Sojková T., Roupcová P., Schneeweiss O.: Magnetic properties and morphology of ultra-small iron oxide nanoparticles. J. Phys.: Conf. Series 2315 (2022) 012023

Čermák J., Král L., Roupcová P.: A new light-element multi-principal-elements alloy AlMg2TiZn and its potential for hydrogen storage. Renewable Energy 198 (2022) 1186-1192

Abdoshahi N., Dehghani M., Ruban A., Friák M., Šob M., Spitaler J., Holec D.: On the energetics of the cubic-to-hexagonal transformations in TiAl+Mo alloys. Acta Mater. 240 (2022) 118268

Miháliková I., Pivoluska M., Plesch M., Friák M., Nagaj D., Šob M.: The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry. Nanomaterials 12 (2022) 243

Turek I.: Altermagnetism and magnetic groups with pseudoscalar electron spin . Phys. Rev. B 106 (2022) 094432

Král P., Dvořák J., Sklenička V., Horita Z., Takizawa Y., Tang Y., Král L., Kvapilová M., Roupcová P., Horváth J.: Creep Resistance of S304H Austenitic Steel Processed by High-Pressure Sliding. Materials 15 (2022) 331

Pizúrová N., Hlaváček A., Kavčiaková Z., Roupcová P., Kuběna I., Buršík J., Sokovnin S.: Nanoceria prepared by electron beam evaporation. Nanocon 2022 Conference proceedings 2022 (2022) 33-38

Jirásková Y., Pizúrová N., Buršík J., Friák M., Čížek J., Vlasák T., Čegan T., Nikodym M., Luňáček J.: Magneto-structural correlations in Fe-25 at%Al influenced by substitution of Fe by Co and by thermal treatment. J. Alloys Comp. 904 (2022) 163996

Miroshkina O., Eggert B., Lill J., Beckmann B., Koch D., Hu M., Lojewski T., Rauls S., Schaubel F., Taubel A., Šob M., Ollefs K., Gutfleisch O., Wende H., Gruner M., Friák M.: Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys. Phys. Rev. B 106 (2022) 214302

Švábenská E., Roupcová P.: Skryté nebezpečí otěrových částic. Chem. Listy 116 (2022) 228-234

Sokovnin S., Pizúrová N., Ilves V., Roupcová P., Zuev M., Uimin M., Ulitko M., Svetlova O.: Properties of ZrO2 and Ag-ZrO2 nanopowders prepared by pulsed electron beam evaporation. Ceram. Int. 48 (2022) 17703-17713

Gamanov Š., Holzer J., Roupcová P., Svoboda J.: High temperature oxidation kinetics of Fe 10Al 4Cr 4Y2O3 ODS alloy at 1200 1400 C. Corros. Sci. 206 (2022) 110498


Vasić M., Žák T., Pizúrová N., Stojković Simatović I., Minić D.: Influence of Thermal Treatment on Microstructure and Corrosion Behavior of Amorphous Fe40Ni40B12Si8 Alloy. Metall. Mater. Trans. A 52 (2021) 34-45

Perovič M., Boskovic M., Kusigerski V., Jagličič Z., Blanusa J., Spasojevic V., Pizúrová N., Schneeweiss O.: Search for high temperature memory effets in magnetic nanoparticles. J. Alloys Comp. 855 (2021) 157523

Lejček P., Hofmann S., Všianská M., Šob M.: Entropy matters in grain boundary segregation. Acta Mater. 206 (2021) 116597

Friák M., Mazalová M., Turek I., Zemanová A., Kastil J., Kamarad J., Míšek M., Arnold Z., Schneeweiss O., Všianská M., Zelený M., Kroupa A., Pavlů J., Šob M.: An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn. Materials 14 (2021) 523

Sopoušek J., Drenčaková D., Brož P., Buršík J., Zemanová A., Roupcová P.: On thermal stability of nanocrystalline Ag-Cu-S powders. J Nanopart Res 23 (2021) 138

Friák M., Gracias J., Pavlů J., Šob M.: A quantum-mechanical study of antiphase boundaries in ferromagnetic B2-phase Fe2CoAl alloy. Magnetochemistry 7 (2021) 137

Šesták P., Friák M., Šob M.: The Effect of Hydrogen on the Stress-Strain Response in Fe3Al: An ab initio Molecular-Dynamics Study. Materials 14 (2021) 4155

Šťastný P., Chlup Z., Roupcová P., Trunec M.: Thin high-strength zirconia tapes with extreme flexibility. J. Asian Ceram. Soc. 9 (2021) 964-974

Švábenská E., Chlupová A., Foldyna J., Schneeweiss O.: Evolution of Microstructure of Silicon Steel After Pulsating Water Jet Treatment. Lecture Notes in Mechanical Engineering Advances (2021) 219-228

Čermák J., Král L., Roupcová P.: Hydrogen desorption from alloys Mg-Cu(-KCl): Cu catalysis in detail. Int. J. Hydrogen Energy 46 (2021) 14494-14507

Polsterová S., Všianská M., Friák M., Pizúrová N., Sokovnin S., Šob M.: AB INITIO STUDY OF SILVER NANOPARTICLES, GRAIN BOUNDARIES AND THEIR QUADRUPLE JUNCTIONS. NANOCON 2021 Conference Proceedings 2021 (2021) 344-350

Švábenská E., Horník V., Fintová S.: Comparison of the effect of EB and LB surface treatment on structural characteristics of IN 713LC superalloy. Kovové materiály 59 (2021) 119-130

Wetzel M., Rabending T., Friák M., Všianská M., Šob M., Leineweber A.: Phase Stability of Iron Nitride Fe4N at High Pressure - Pressure-Dependent Evolution of Phase Equilibria in the Fe-N System. Materials 14 (2021) 3963

Kamarad J., Kastil J., Friák M., Mazalová M., Schneeweiss O., Arnold Z.: Effect of hydrostatic pressure on magneto-crystalline anisotropy of Heusler Ni2MnSn-based alloy. High Pressure Research 41 (2021) 405-413

Akram S., Babutskyi A., Chrysanthou A., Montalvao D., Whiting M., Pizúrová N.: Improvement of the wear resistance of nickel-aluminium bronze and 2014-T6 aluminium alloy by application of alternating magnetic field treatment. Wear 480 (2021) 203940

Kamarad J., Kastil J., Friák M., Mazalová M., Schneeweiss O., Míšek M., Kaman O., Arnold Z.: Pressure study of magnetism in off-stoichiometric Ni2MnSn-based alloys. J. Magn. Magn. Mater. 539 (2021) 168345

Friák M., Pavlů J., Šob M.: Impact of Disorder on Properties of Vacancies: A Case Study of B2 and A2 Polymorphs of Non-Stoichiometric Fe2CoAl. Crystals 11 (2021) 1207

Friák M., Černý M., Šob M.: The Impact of Vibrational Entropy on the Segregation of Cu to Antiphase Boundaries in Fe3Al. Magnetochemistry 7 (2021) 108

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