arXiv subjects

Andrzej Ptok

Publications and source records attributed to Andrzej Ptok.

At least 73 records · Page 4Linked to original sources

arXiv2022

Dynamical properties of magnetic topological insulator $T$Bi$_{2}$Te$_{4}$ ($T=$Mn, Fe): phonons dispersion, Raman active modes, and chiral phonons study

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 to confirm the stability of these systems. We show that the phonon dispersion does not contain soft modes, so both compounds are dynamically stable in the $R\bar{3}m$ phase. We perform theoretical analyses of the mode activity at $Γ$ point for the discussed compounds. In the case of the Raman active modes, our results are in agreement with the experimentally observed frequencies. Finally, we also discuss the possibility of realization of chiral phonons.

cond-mat.mtrl-sci↗

arXiv2021

Dynamical Study of the Origin of the Charge Density Wave in $A$V$_{3}$Sb$_{5}$ ($A=$K, Rb, Cs) Compounds

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 coexistence of the charge density wave (CDW) and superconductivity is observed. In this paper, we study the dynamic properties of the $A$V$_{3}$Sb$_{5}$ systems in context of origin of the CDW phase. We show and discuss the structural phase transition from $P6/mmm$ to $C2/m$ symmetry that are induced by the presence of phonon soft modes. We conclude that the CDW observed in this family of compounds is a consequence of the atom displacement, from the high symmetry position of the kagome net, in low-temperature phase. Additionally, using the numerical {\it ab initio} methods, we discuss the charge distribution on the $A$V$_{3}$Sb$_{5}$ surface. We show that the observed experimental %$4\times 1$ stripe-like modulation of the surface, can be related to surface reconstruction and manifestation of the three dimensional $2 \times 2 \times 2$ bulk CDW. Finally, the consequence of realization of the $C2/m$ structure on the electronic properties are discussed. We show that the electronic band structure reconstruction and the accompanying modification of density of states correspond well to the experimental data.

cond-mat.mtrl-sci↗

arXiv2021

Chiral phonons in honeycomb sublattice of layered CoSn-like compounds

Hexagonal and kagome lattices exhibit extraordinary electronic properties. It is a natural consequence of additional discrete degree of freedom associated with a valley or the occurence of electronic flat-bands. Combination of both types of lattices, observed in CoSn-like compounds, leads not only to the topological electronic behavior, but also to the emergence of chiral phonon modes. Here, we study CoSn-like compounds in the context of realization of chiral phonons. Previous theoretical studies demonstrated that the chiral phonons can be found in ideal two-dimensional hexagonal or kagome lattices. However, it turns out that in the case of CoSn-like systems with the $P6/mmm$ symmetry, the kagome lattice formed by $d$-block element is decorated by the additional $p$-block atom. This results in a two dimensional triangular lattice of atoms with non-equal masses and the absence of chiral phonons in the kagome plane. Contrary to this, the interlayer hexagonal lattice of $p$-block atoms is preserved and allows for the realization of chiral phonons. We discuss properties of these chiral phonons in seven CoSn-like compounds and demonstrate that they do not depend on atomic mass ratio or the presence of intrinsic magnetic order. The chiral phonons of $d$-block atoms can be restored by removing the inversion symmetry. The latter is possible in the crystal structure of CoGe and RhPb with the reduced symmetry ($P\bar{6}2m$) and distorted-kagome-like lattice.

cond-mat.mtrl-sci↗

arXiv2021

Electronic and dynamical properties of CeRh$_{2}$As$_{2}$: Role of Rh$_{2}$As$_{2}$ layers and expected hidden orbital order

Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual behavior, which is manifested by the appearance of two superconducting phases. In this work, we uncover and discuss a role of Rh$_{2}$As$_{2}$ layers and their impact on the electronic and dynamical properties of the system. The location of Ce atoms between two non-equivalent layers allows for the realization of hidden orbital order. We point out that the electronic band structure around the Fermi level is associated mostly with Ce $4f$ and Rh $4d$ orbitals and suggest the occurrence of the Lifshitz transition induced by the external magnetic field. We discuss also the role played by the $f$--$d$ orbital hybridization in the electronic band structure.

cond-mat.mtrl-sci↗

arXiv2021

Majorana bound states in a superconducting Rashba nanowire in the presence of antiferromagnetic order

Theoretical studies have shown that Majorana bound states can be induced at the ends of a one dimensional wire, a phenomenon possible due to the interplay between s-wave superconductivity, spin-orbit coupling, and an external magnetic field. These states have been observed in superconductor-semiconductor hybrid nanostructures in the presence of a Zeeman field, and in the limit of a low density of particles. In this paper, we demonstrate and discuss the possibility of the emergence of Majorana bound states in a superconducting Rashba nanowire deposited on an antiferromagnetically ordered surface. We calculate the relevant topological invariant in several complementary ways. Studying the topological phase diagram reveals two branches of the non trivial topological phase -- a main branch, which is typical for Rashba nanowires, and an additional branch emerging due to the antiferromagnetic order. In the case of the additional topological branch, Majorana bound states can also exist close to half-filling, obviating the need for either doping or gating the nanowire to reach the low density regime. Moreover, we show the emergence of the Majorana bound states in the absence of the external magnetic field, which is possible due to the antiferromagnetic order. We also discuss the properties of the bound states in the context of real space localization and the spectral function of the system. This allows one to perceive the band inversion within the spin and sublattice subspaces in the additional branch, contrary to the main branch, where the only band inversion reported in previous studies exists in the spin subspace. Finally, we demonstrate how these topological phases can be confirmed experimentally in transport measurements.

cond-mat.mes-hall↗

arXiv2020

Identification of the Majorana edge modes in tight-binding systems based on the Krylov method

Low dimensional structures in the non-trivial topological phase can host the in-gap Majorana bound states, identified experimentally as zero-bias peaks in differential conductance. Theoretical methods for studying Majorana modes are mostly based on the bulk-boundary correspondence or exact diagonalization of finite systems via, e.g., Bogoliubov-de Gennes formalism. In this paper, we develop an efficient method for identifying the Majorana in-gap (edge) states via looking for extreme eigenvalues of symmetric matrices. The presented approach is based on the Krylov method and allows for study the spatial profile of the modes as well as the spectrum of the system. The advantage of this method is the calculation cost, which shows linear dependence on the number of lattice sites. The latter problem may be solved for very large clusters of arbitrary shape/geometry. In order to demonstrate the efficiency of our approach, we study two- and three-dimensional clusters described by the Kitaev and Rashba models for which we determine the number of Majorana modes and calculate their spatial structures. Additionally, we discuss the impact of the system size on the physical properties of the topological phase of the magnetic nanoisland deposited on the superconducting surface. In this case, we have shown that the eigenvalues of the in-gap states depend on the length of the system edge.

cond-mat.mes-hall↗

arXiv2020

Electronic properties of Bi$_{2}$Se$_{3}$ dopped by $3d$ transition metal (Mn, Fe, Co, or Ni) ions

Topological insulators are characterized by the existence of band inversion and the possibility of the realization of surface states. Doping with a magnetic atom, which is a source of the time-reversal symmetry breaking, can lead to realization of novel magneto-electronic properties of the system. In this paper, we study effects of substitution by the transition metal ions (Mn, Fe, Co and Ni) into Bi$_{2}$Se$_{3}$ on its electric properties. Using the ab inito supercell technique, we investigate the density of states and the projected band structure. Under such substitution the shift of the Fermi level is observed. We find the existence of nearly dispersionless bands around the Fermi level associated with substituted atoms, especially, in the case of the Co and Ni. Additionally, we discuss the modification of the electron localization function as well as charge and spin redistribution in the system. Our study shows a strong influence of the transition metal--Se bond on local modifications of the physical properties. The results are also discussed in the context of the interplay between energy levels of the magnetic impurities and topological surface states.

cond-mat.mtrl-sci↗

arXiv2020

Probing the chirality of 1D Majorana edge states around a 2D nanoflake in a superconductor

The interplay between superconductivity, magnetic field and spin-orbit coupling can lead to the realization of non--trivial topological phases. Recent experiments have found signatures of such phases in magnetic nanoflakes formed by nanostructures coupled to a superconducting substrate. These heterostructures comprise a topologically non-trivial region surrounded by a trivial one due to the finite magnetic exchange field induced by the magnetic nanoflake. The analysis of the topological phase diagram of such a system shows that a similar phase separation occurs by tuning the chemical potential of the nanoflake. In this paper, we study such a possibility in detail, analyzing the spatial extent of the edge modes circulating around the nanoflake and discussing some practical implementations. We also show how the chirality of Majorana edge states can be probed using scanning tunneling spectroscopy with a double tip setup.

cond-mat.mes-hall↗

arXiv2020

Origin of monoclinic distortion and its impact on the electronic properties in KO$_2$

We use the density functional theory and lattice dynamics calculations to investigate the properties of potassium superoxide KO$_2$ in which spin, orbital, and lattice degrees of freedom are interrelated and determine the low-temperature phase. After calculating phonon dispersion relations in the high-temperature tetragonal $I4/mmm$ structure, we identify a soft phonon mode leading to the monoclinic $C2/c$ symmetry and optimize the crystal geometry resulting from this mode. Thus we reveal a displacive character of the structural transition with the group-subgroup relation between the tetragonal and monoclinic phases. We compare the electronic structure of KO$_2$ with antiferromagnetic spin order in the tetragonal and monoclinic phases. We emphasize that realistic treatment of the electronic structure requires including the local Coulomb interaction $U$ in the valence orbitals of the O$^-_2$ ions. The presence of the `Hubbard' $U$ leads to the gap opening at the Fermi energy in the tetragonal structure without orbital order but with weak spin-orbit interaction. We remark that the gap opening in the tetragonal phase could also be obtained when the orbital order is initiated in the calculations with a realistic value of $U$. Finally, we show that the local Coulomb interactions and the finite lattice distortion, which together lead to the orbital order via the Jahn-Teller effect, are responsible for the enhanced insulating gap in the monoclinic structure.

cond-mat.str-el↗

arXiv2020

First principles study of topological phase in chains of $3d$ transition metals

Recent experiments have shown the signatures of Majorana bound states at the ends of magnetic chains deposited on a superconducting substrate. Here, we employ first principles calculations to directly investigate the topological properties of $3d$ transition metal nanochains (i.e., Mn, Cr, Fe and Co). In contrast to the previous studies [Nadj-Perge et al. Science 346, 602 (2014) and Ruby et al. Nano Lett. 17, 4473 (2017)], we found the exact tight binding models in the Wannier orbital basis for the isolated chains as well as for the surface--deposited wires. Based on these models, we calculate topological invariant of $\mathbb{Z}_2$ phase for all systems. Our results for the isolated chains demonstrate the existence of the topological phase only in the Mn and Co systems. We considered also a non-collinear magnetic order as a source of the non--trivial topological phase and found that this type of magnetic order is not a stable ground state in the Fe and Co isolated chains. Further studies showed that a coupling between the chain and substrate leads to strong modification of the band structure. Moreover, the analysis of the topological invariant indicates a possibility of emergence of the topological phase in all studied nanochains deposited on the Pb surface. Therefore, our results demonstrate an important role of the coupling between deposited atoms and a substrate for topological properties of nanosystems.

cond-mat.mtrl-sci↗

arXiv2020

Majorana bound states and zero-bias conductance peaks in superconductor/semiconductor nanowire devices

Theoretical research suggests a emergence of the Majorana bound states at the ends of the nanowires. Experimental verifications of said concept has already been executed, e.g., in superconductor/semiconductor nanowire devices where interplay between superconducting gap, spin-orbit coupling and external magnetic field allows for creation of zero-energy bound states. Recent experiments propose a topological phase diagram by local modification of the effective chemical potential. We discuss this possibility, using a model of experimental system in form of semi-infinite S/N junction. We calculate the zero--bias differential conductance $G$ in the case of the homogeneous system, as well as in the presence of the gate voltage. Relation between conductance and the effective gap in the system is investigated. We show that $G$ can reproduce the topological phase diagram in magnetic field vs. gate voltage space of parameters.

cond-mat.mes-hall↗

arXiv2020

Low-Temperature Phase of the Cd$_2$Re$_2$O$_7$ Superconductor: Ab initio Phonon Calculations and Raman Scattering

Using an {\it ab initio} approach, we report a phonon soft mode in the tetragonal structure described by the space group $I4_{1}22$ of the $1$ K $5d$ superconductor Cd$_2$Re$_2$O$_7$. It induces an orthorhombic distortion to a crystal structure described by the space group $F222$ which hosts the superconducting state. This new phase has a lower total energy than the other known crystal structures of Cd$_2$Re$_2$O$_7$. Comprehensive temperature dependent Raman scattering experiments on isotope enriched samples, $^{116}$Cd$_2$Re$_2{^{18}}$O$_7$, not only confirm the already known structural phase transitions but also allow us to identify a new characteristic temperature regime around $\sim 80$ K, below which the Raman spectra undergo remarkable changes with the development of several sharp modes and mode splitting. Together with the results of the \textit{ab initio} phonon calculations we take these observations as strong evidence for another phase transition to a novel low-temperature crystal structure of Cd$_2$Re$_2$O$_7$.

cond-mat.supr-con↗

arXiv2019

Influence of long-range interaction on Majorana zero modes

Majorana bound states, with their non-Abelian properties, are candidates for the realization of fault-tolerant quantum computation. Here we study the influence of long-range many-body interactions on Majorana zero modes present in Kitaev chains. We show that these interactions can suppress the lifetime of the Majorana zero mode. We also discuss the role of long-range interactions on the Majorana state's spatial structure, and the overlap of the Majorana states localized at opposite ends of the chain. We have determined that increasing the interaction strength leads to decreasing of the stability of the Majorana modes. Moreover, we found out that interaction between particles located at more distant sites plays a more destructive role than the interaction between nearest neighbors.

cond-mat.mes-hall↗

arXiv2019

Phase separations induced by a trapping potential in one-dimensional fermionic systems as a source of core-shell structures

Ultracold fermionic gases in optical lattices give a great opportunity for creating different types of novel states. One of them is phase separation induced by a trapping potential between different types of superfluid phases. The core-shell structures, occurring in systems with a trapping potential, are a good example of such separations. The types and the sequences of phases which emerge in such structures can depend on spin-imbalance, shape of the trap and on-site interaction strength. In this work, we investigate the properties of such structures within an attractive Fermi gas loaded in the optical lattice, in the presence of the trapping potential and their relations to the phase diagram of the homogeneous system. Moreover, we show how external and internal parameters of the system and parameters of the trap influence their properties. In particular, we show a possible occurrence of the core-shell structure in a system with a harmonic trap, containing the BCS and FFLO states. Additionally, we find a spatial separation of two superfuild states in the system, one in the BCS limit as well as the other one in the tightly bound local pairs (BEC) regime.

cond-mat.quant-gas↗

arXiv2019

Structural, electronic, and dynamical properties of the tetragonal and collapsed tetragonal phases of KFe$_2$As$_2$

Compounds with a tetragonal ThCr$_{2}$Si$_{2}$-type structure are characterized by the possibility of the isostructural phase transition from the tetragonal phase to the collapsed tetragonal phase induced by the external pressure. An example of a compound with such a phase transition is KFe$_{2}$As$_{2}$, which belongs to the family of the iron-based superconductors. In this paper, we investigate the effects of the phase transition on the structural, electronic, and dynamical properties of this compound. Performing the ab initio calculations, we reproduce the dependence of the lattice constants on pressure and analyze the changes of the inter-atomic distances in the tetragonal and collapsed tetragonal phases. Using the tight binding model with maximally localized Wannier orbitals, we calculate and discuss the influence of pressure on the electronic band structure as well as on the shape of the Fermi surface. We found a precursor of the phase transition in the form of enhancement of overlapping between two Wannier orbitals of As atoms. In order to better understand the superconducting properties of KFe$_{2}$As$_{2}$, we study the orbital-projected Cooper pairs susceptibility as a function of pressure. We found a decrease of susceptibility with the increasing pressure in a good qualitative agreement with experimental observation. The structural transition also influences the phonon spectrum of KFe$_{2}$As$_{2}$, which exhibits pronounced changes induced by pressure. Some phonon modes related with the vibrations of Fe and As atoms show an anomalous, nonmonotonic dependence on pressure close to the phase transition.

cond-mat.supr-con↗

arXiv2018

Delocalisation of Majorana quasiparticles in plaquette--nanowire hybrid system

Interplay between superconductivity, spin-orbit coupling and magnetic field can lead to realisation of the topologically non--trivial states which in finite one dimensional nanowires are manifested by emergence of a pair of zero-energy Majorana bound states. On the other hand, in two dimensional systems spin current contributed by the edge states might appear. We investigate novel properties of the bound states in a system of mixed dimensionality, composed of one-dimensional nanowire connected with two-dimensional plaquette. This setup could be patterned epitaxially, e.g. using heterostructure analogous to what has been reported recently by F. Nichele et al., Phys. Rev. Lett. 119, 136803 (2017). We study this system, assuming either its part or the entire structure to be in topologically non--trivial superconducting state. Our results predict delocalisation of the Majorana modes, upon leaking from the nanowire to the nanocluster with some tendency towards its corners.

cond-mat.mes-hall↗

arXiv2018

Reentrant Fulde-Ferrell-Larkin-Ovchinnikov superfluidity in the honeycomb lattice

We study superconducting properties of population-imbalanced ultracold Fermi mixtures in the honeycomb lattice that can be effectively described by the spin-imbalanced attractive Hubbard model in the presence of a Zeeman magnetic field. We use the mean-field theory approach to obtain ground state phase diagrams including some unconventional superconducting phases such as the Fulde--Ferrell--Larkin--Ovchinnikov (FFLO) phase. We show that this phase is characterized by atypical behaviour of the Cooper pairs total momentum in the external magnetic field. We show that the momentum changes its value as well as direction with change of the system parameters. We discuss the influence of van Hove singularities on the possibility of the reentrant FFLO phase occurrence, without a BCS precursor.

cond-mat.quant-gas↗

arXiv2018

Electrostatical formation of the Majorana quasiparticles in the quantum dot--nanoring structure

Zero--energy Majorana quasiparticles can be induced at the edge of a low dimensional systems. Non--Abelian statistics of this state makes it a good candidate for the realization of quantum computing. From the practical point of view, it is crucial to obtain an intentional creation and manipulation of this type of bound states. Here, we show such a possibility in a setup of quantum nanoring in which we specify a quantum dot region via electrostatic means. States in such quantum dot can lead to the emergence of Andreev and Majorana bound states in investigated system. We study the differences between those bound states and the possibility of their manipulation. Moreover, exact calculation method for spectral function has been proposed, which can be used to discuss the bound states influence on band structure of proposed system. Using this method, it can be shown that the Majorana bound states, induced at the edge of the system, present themselves as a dispersionless zero--energy band.

cond-mat.mes-hall↗