M. Sternik
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View article: Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe
Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe Open
Electron-correlation-driven phonon soft modes have been recently reported in the antiferromagnetic kagome FeGe compound and associated with the observed charge density wave (CDW). In this paper, we present a systematic investigation of the…
View article: Lattice dynamics of <sup>119</sup>Sn impurity in a bcc-Cr crystal
Lattice dynamics of <sup>119</sup>Sn impurity in a bcc-Cr crystal Open
The chromium crystal doped with 119 Sn isotope was studied using the nuclear resonance inelastic x-ray scattering and first principles calculations. The Sn partial phonon density of states (PDOS) was obtained for three temperatures that co…
View article: Phononic drumhead surface state in the distorted kagome compound RhPb
Phononic drumhead surface state in the distorted kagome compound RhPb Open
RhPb was initially recognized as one of CoSn-like compounds with P6/mmm symmetry, containing an ideal kagome lattice of d-block atoms. However, theoretical calculations predict the realization of the phonon soft mode, which leads to the ka…
View article: Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces
Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces Open
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and nanotechnology. As bulk gold crystallizes in the fcc phase, surface effects can play an important role in …
View article: Phononic drumhead surface state in distorted kagome compound RhPb
Phononic drumhead surface state in distorted kagome compound RhPb Open
RhPb was initially recognized as one of a CoSn-like compounds with $P6/mmm$ symmetry, containing an ideal kagome lattice of $d$-block atoms. However, theoretical calculations predict the realization of the phonon soft mode which leads to t…
View article: Density functional theory study of experimentally observed Au/Ge interfaces
Density functional theory study of experimentally observed Au/Ge interfaces Open
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important rol…
View article: Dynamical properties of magnetic topological insulator $T$Bi$_{2}$Te$_{4}$ ($T=$Mn, Fe): phonons dispersion, Raman active modes, and chiral phonons study
Dynamical properties of magnetic topological insulator $T$Bi$_{2}$Te$_{4}$ ($T=$Mn, Fe): phonons dispersion, Raman active modes, and chiral phonons study Open
Recently discovered magnetic topological insulators $T$Bi$_{2}$Te$_{4}$ ($T=$Mn, Fe) crystallize into the $R\bar{3}m$ rhombohedral structure and exhibit the antiferromagnetic order. Here, we discuss the lattice dynamics of these compounds …
View article: Phonon confinement and interface lattice dynamics of ultrathin high-<i>k</i> rare earth sesquioxide films: the case of Eu<sub>2</sub>O<sub>3</sub> on YSZ(001)
Phonon confinement and interface lattice dynamics of ultrathin high-<i>k</i> rare earth sesquioxide films: the case of Eu<sub>2</sub>O<sub>3</sub> on YSZ(001) Open
We demonstrate that sub-nanometer-thick layers exhibiting exotic crystal phases that might form at the interface between two materials constitute a source of novel vibrational dynamics of thin films and multilayers.
View article: Dynamical Study of the Origin of the Charge Density Wave in $A$V$_{3}$Sb$_{5}$ ($A=$K, Rb, Cs) Compounds
Dynamical Study of the Origin of the Charge Density Wave in $A$V$_{3}$Sb$_{5}$ ($A=$K, Rb, Cs) Compounds Open
Systems containing the ideal kagome lattice can exhibit several distinct and novel exotic states of matter. One example of such systems is a recently discovered $A$V$_{3}$Sb$_{5}$ ($A$ = K, Rb, and Cs) family of compounds. Here, the coexis…
View article: Chiral phonons in the honeycomb sublattice of layered CoSn-like compounds
Chiral phonons in the honeycomb sublattice of layered CoSn-like compounds Open
Hexagonal and kagome lattices exhibit extraordinary electronic properties. It\nis a natural consequence of additional discrete degree of freedom associated\nwith a valley or the occurence of electronic flat-bands. Combination of both\ntype…
View article: Lattice Dynamics and Structural Phase Transitions in Eu<sub>2</sub>O<sub>3</sub>
Lattice Dynamics and Structural Phase Transitions in Eu<sub>2</sub>O<sub>3</sub> Open
Using the density functional theory, we study the structural and lattice dynamical properties of europium sesquioxide (Eu2O3) in the cubic, trigonal, and monoclinic phases. The obtained lattice parameters and energies of the Raman modes sh…
View article: Lattice dynamics of endotaxial silicide nanowires
Lattice dynamics of endotaxial silicide nanowires Open
Self-organized silicide nanowires are considered as main building blocks of\nfuture nanoelectronics and have been intensively investigated. In\nnanostructures, the lattice vibrational waves (phonons) deviate drastically\nfrom those in bulk…
View article: Superconductivity of KFe2As2 Under Pressure: Ab Initio Study of Tetragonal and Collapsed Tetragonal Phases
Superconductivity of KFe2As2 Under Pressure: Ab Initio Study of Tetragonal and Collapsed Tetragonal Phases Open
KFe 2 As 2 is one of the representatives of iron-based superconductors. Many interesting features distinguish this compound from other iron-based superconductors, e.g., a realization of the Pauli limit or an occurrence of the superconducti…
View article: DFT modelling of the edge dislocation in 4H-SiC
DFT modelling of the edge dislocation in 4H-SiC Open
The paper presents a study of two full-core, edge dislocations of opposite Burgers vectors in 4H-SiC, conducted using the first-principles density functional theory methods. We have determined the creation energy of the dislocations as a f…
View article: Vibrational properties and stability of FePt nanoalloys
Vibrational properties and stability of FePt nanoalloys Open
The structural and dynamical properties of FePt nanoparticles were studied\nwithin the density functional theory. The effect of size and chemical\ncomposition on dynamical stability of nanoparticles was investigated for the\ncuboctahedral …
View article: Effect of edge dislocations on structural and electric properties of 4H-SiC
Effect of edge dislocations on structural and electric properties of 4H-SiC Open
The paper presents a study of two full-core, edge dislocations of opposite Burgers vectors in 4H-SiC, conducted using the first-principles density functional theory methods. We have determined the creation energy of the dislocations as a f…
View article: Dynamical properties of ordered Fe-Pt alloys
Dynamical properties of ordered Fe-Pt alloys Open
The structure, magnetic properties, and lattice dynamics of ordered Fe-Pt alloys with three stoichiometric compositions, Fe$_3$Pt, FePt and FePt$_3$, have been investigated using the density functional theory. Additionally, the existing ex…
View article: Dynamics and stability of icosahedral Fe–Pt nanoparticles
Dynamics and stability of icosahedral Fe–Pt nanoparticles Open
An ab initio theoretical study on icosahedral Fe–Pt clusters – one of the most interesting nanoalloys with high application potential.