Scientific interests

Intermetallic compounds, particularly rare earth and transition metal compounds with thermoelectric or magnetocaloric properties.

For example, some time ago we have discovered that doped Ce3Cu3Sb4 have very good thermoelectric properties at moderate temperatures near the boiling point of water, it also does not contain toxic or expensive elements, in contrast to currently used materials like Bi2Te3. Despite lower thermolectric figure of merit, these materials can be very interesting for a direct recovery of waste heat and powering small electric devices. We also investigated a prospective Fe2P class based materials for magnetocaloric applications. Heusler alloys, also often exhibit good magnetocaloric or thermoelectric properties.

New and unconventional semiconductors

Heusler alloys, often exhibit half-metallic behaviour (band gap in one spin channel, and metallic character in the other), which is very interesting due to spintronic applications (it gives the possibility to construct for example better magnetic field sensors or computer memories). Even better, for such purposes would work a new class of materials - Spin Gapless Semiconductors (SGS) , where valence and conduction band touches just in one point in reciprocal space in one spin channel, whereas the other spin channel has metallic like character. Recently, we published papers about possible SGS properties of some Heusler alloys: Ti2MnGa and Ti2FeGa. We also found, that common anti-cancer drug cisplatin have very interesting conventional semiconducting properties. Some years ago I also explained metal-Kondo Insulator transition caused by chemical substitution in CeRhSb and YbB12 on the basis of Density Functional Theory (DFT) calculations.

Ab-initio calculations, mostly within Density Functional Theory (DFT)

Such calculations are used to predict the physical properties of materials, knowing only their composition and crystal structure. I am mostly interested in periodic systems. Properties, such as whether particular material is a metal, semiconductor or an insulator, the type of magnetic ordering, optic, various spectroscopic, elastic and mechanical properties can be determined among others. Most of the papers i published, contain results of such simulations.

Low temperature physics

Measurements and interpretation of physical properties (such as resistivity, magnetic properties, specific heat, thermopower) on the basis of many solid state models. For example analysis of specific heat on the basis of Schotte-Schotte model can be carried out, here . This script written in the Javascript with the use of asm.js code was described in this article published in Computer Physics Communications .

Programming in various languages

I was always interested in electronics (analog and digital) and programming (from assembler for microcontrolers to Web application programming in Javascript). I used this knowledge also in my scientific activity writing various scripts and programs for post processing or analyzing experimental data. For example a program for deconvolution of XPS (X-ray Photoelectron Spectroscopy) spectra and analysis within Gunnarson-Schonhammer theory is available here (I used it in several papers).