arXiv subjects

Konrad Jerzy Kapcia

Publications and source records attributed to Konrad Jerzy Kapcia.

At least 19 recordsLinked to original sources

arXiv2026

Charge-Ordered States and the Phase Diagram of the Extended Hubbard Model on the Bethe lattice

We study the extended Hubbard model (EHM) with both onsite Hubbard interaction and the intersite density-density interaction between nearest-neighbors using the standard Hartree mean-field approximation (MFA) on the Bethe lattice. We found that, at the ground state, the system can be in a charge-ordered band-insulating (COI), a charge-order metallic (COM) or a non-charge-ordered (NO) state. Moreover, the finite-temperature phase diagrams are presented. Several observables like a charge-order parameter, a spectral function, and particularly at finite temperatures, a thermally-excited charge carrier concentration (to visualize the degree of metallicity) are analyzed. The results show that increasing onsite repulsion suppresses charge order and change the properties of the system from insulating to metallic. Worth noting, that a number of phenomena can be found within the MFA, where their analysis is much simpler than in more advanced approaches. The method used for the EHM on the Bethe lattice also allows for a series of analytical derivations and simplifications to see general geometry-independent features and analytical results, avoiding the numerical inaccuracies and other issues that appear with a purely numerical solution.

cond-mat.str-el↗

arXiv2026

Charge order on a triangular lattice with Mott physics and arbitrary charge density

Triangular-lattice systems attract a lot of attention due to various frustration-induced and strongly correlated effects. Here, we focus on the charge-ordering phenomenon by means of investigation of the extended Hubbard model with dynamical mean-field theory (DMFT). By considering the intersite nearest-neighbor interaction we have found a very rich phase diagram that contains large number of features, phases, and phase transitions. Among them are pinball-liquid (PL) phases where we distinguish charge-transfer-driven and Mott-localization-driven PLs; phase transitions that change their order as model parameters evolve (from discontinuous to continuous); very strong particle-hole asymmetry. Various features of the phase diagram are found to be better understood by means of the simple mean-field approximation (MFA). Moreover, besides helping with interpretation of the phase diagram, the MFA results together with results for the atomic-limit model are found to be able to set rather good expectations on how the DMFT phase diagram should look like. Nevertheless, a few features were not expected and are found within the DMFT, such as a small-region intermediate metallic phase on an electron-doped side of the phase diagram.

cond-mat.str-el↗

arXiv2025

Particle-Hole Asymmetry and Pinball Liquid in a Triangular-Lattice Extended Hubbard Model within Mean-Field Approximation

Recently, triangular lattice models have received a lot of attention since they can describe a number of strongly-correlated materials that exhibit superconductivity and various magnetic and charge orders. In this research we present an extensive analysis of the charge-ordering phenomenon of the triangular-lattice extended Hubbard model with repulsive onsite and nearest-neighbor interaction, arbitrary charge concentration, and $\sqrt{3}\times\sqrt{3}$ supercell (3-sublattice assumption). The model is solved in the ground state with the mean-field approximation which allowed to identify $8$ charge-ordered phases and a large variety of phase transitions. An exotic pinball-liquid phase was found and described. Moreover, strong particle-hole asymmetry of the phase diagram is found to play an important role for triangular lattices. The detailed analysis of band structures, unavailable for more advanced methods, such as dynamical mean-field theory, allowed us to interpret the found triangular-lattice phases and provided a great insight into the mechanisms behind the phase transitions that can also be met when correlation effects are taken into account. The complexity of the mean-field phase diagram showed the importance and usefulness of the results for the further research with correlation effects included. Together with atomic-limit approximation it can serve them as both a starting point, and a tool to interpret results.

cond-mat.str-el↗

arXiv2025

Localized fermions on the triangular lattice with Ising-like interactions

The model of localized fermions on the triangular lattice is analyzed in means of the Monte Carlo simulations in the grand canonical ensemble. The Hamiltonian of the system has a form of the extended Hubbard model (at the atomic limit) with nearest-neighbor Ising-like magnetic $J$ interactions and onsite Coulomb $U$ interactions. The model is investigated for both signs of $J$, arbitrary $U$ interaction and arbitrary chemical potential $μ$ (or, equivalently, arbitrary particle concentration $n$). Based on the specific heat capacity and sublattice magnetization analyses, the phase diagrams of the model are determined. For ferromagnetic case ($J<0$), the transition from the ordered phase (which is a standard ferromagnet and can be stable up to $k_{B}T/|J| \approx 0.61$) is found to be second-order (for sufficiently large temperatures $k_{B}T/|J| \gtrsim 0.2$) or first-order (for $-1 0$, the ordered phase occurs in a range of $-1/2 -1/2$ is always second-order for any model parameters. The ordered phase for $J>0$ can be stable up to $k_{B}T/|J| \approx 0.06$.

cond-mat.stat-mech↗

arXiv2023

Electronic properties and surface states of CeRh$_{2}$As$_{2}$

Locally noncentrosymmetric CeRh$_{2}$As$_{2}$ exhibits characteristic two-phase unconventional $H$--$T$ superconducting phase diagram. The transition from even- to odd-parity superconducting phase is supported by the P4/nmm crystal structure and it can be induced by the external magnetic field. Dual nature of the Ce $f$ electrons and competition between their itinerant and localized nature can be important for its physical proprieties. The existing electronic band structure in this material is still under debate. Energy scale occurring in the system can be important for adequate theoretical description of its supercomputing properties. In this paper, we discuss electronic band structure obtained from {\it ab initio} calculations. We analyze electronic surface states which can be compared with recently obtained angle-resolved photoemission spectroscopy measurement (ARPES). Additionally, we present the analyses of the hopping parameters obtained from the electronic band structure. The As-Rh layers are characterized by much more significant hopping parameters between atoms than these obtained for the Ce-Ce atoms. This suggests need of a revision of the tight binding model necessary for adequate description of the physical properties of CeRh$_{2}$As$_{2}$.

cond-mat.supr-con↗

arXiv2023

Magnetic and charge orders on the triangular lattice: Extended Hubbard model with intersite Ising-like magnetic interactions in the atomic limit

In the work, we investigated a generalized model of the fermionic lattice gas in the form of the extended Hubbard model with intersite Ising-like interactions (both antiferromagnetic and ferromagnetic) at the atomic limit on the triangular lattice. In the ground state, we find the exact phase diagram as a function of $μ$. Within the mean-field decoupling of the intersite term and exact treatment of onsite interaction, we found also the diagrams for $T\geq 0$ including metastable phases. For antiferromagnetic coupling, we find that nontrival ordered phase can exist with coexistence of charge and metamagnetic ordering. The transition between the ordered phase and the nonordered phase can be discontinuous as well continuous depending on the model parameters. Moreover, the ordered phase can coexist with the nonordered phase in phase separated states for fixed electron concentration. Additionally, the ranges of phases metastability are determined in the neighborhood of the discontinuous transitions.

cond-mat.stat-mech↗

arXiv2023

Continuous unitary transformation approach to the Kondo-Majorana interplay

We analyze a setup composed of a correlated quantum dot (QD) coupled to one metallic lead and one end of topological chain hosting a Majorana zero mode (MZM). In such a hybrid structure, a leakage of the MZM into the region of the QD competes with the Kondo resonance appearing as a consequence of the spin-exchange interactions between the dot and the lead. In the work, we use the nontrivial technique called the continuous unitary transformation (CUT) to analyze this competition. Using the CUT technique, we inspect the influence of the coupling between the QD and the chain on effective exchange interactions and calculate the resultant Kondo temperature.

cond-mat.mes-hall↗

arXiv2022

Connection between the semiconductor--superconductor transition and the spin-polarized superconducting phase in the honeycomb lattice

The band structure of noninteracting fermions in the honeycomb lattice exhibits the Dirac cones at the corners of the Brillouin zone. As a consequence, fermions in this lattice manifest a semiconducting behavior below some critical value of the onsite attraction, $U_{c}$. However, above $U_{c}$, the superconducting phase can occur. We discuss an interplay between the semiconductor--superconductor transition and the possibility of realization of the spin-polarized superconductivity (the so-called Sarma phase). We show that the critical interaction can be tuned by the next-nearest-neighbor (NNN) hopping in the absence of the magnetic field. Moreover, a critical value of the NNN hopping exists, defining a range of parameters for which the semiconducting phase can emerge. In the weak coupling limit case, this quantum phase transition occurs for the absolute value of the NNN hopping equal to one third of the hopping between the nearest neighbors. Similarly, in the presence of the magnetic field, the Sarma phase can appear, but only in a range of parameters for which initially the semiconducting state is observed. Both of these aspects are attributed to the Lifshitz transition, which is induced by the NNN hopping as well as the external magnetic field.

cond-mat.supr-con↗

arXiv2021

Charge-order on the triangular lattice: Effects of next-nearest-neighbor attraction in finite temperatures

The extended Hubbard model in the atomic limit, which is equivalent to lattice $S=1/2$ fermionic gas, is considered on the triangular lattice. The model includes onsite Hubbard $U$ interaction and both nearest-neighbor ($W_{1}$) and next-nearest-neighbor ($W_{2}$) density-density intersite interactions. The variational approach treating the $U$ term exactly and the $W_l$ terms in the mean-field approximation is used to investigate thermodynamics of the model and to find its finite temperature ($T>0$) phase diagrams (as a function of particle concentration) for $W_{1}>0$ and $W_{2}<0$. Two different types of charge-order (i.e., DCO and TCO phases) within $\sqrt{3} \times \sqrt{3}$ unit cells as well as the nonordered (NO) phase occur on the diagram. Moreover, several kinds of phase-separated (PS) states (NO/DCO, DCO/DCO, DCO/TCO, and TCO/TCO) are found to be stable for fixed concentration. Attractive $W_{2}<0$ stabilizes PS states at $T=0$ and it extends the regions of their occurrence at $T>0$. The evolution of the diagrams with increasing of $|W_{2}|/W_{1}$ is investigated. It is found that some of the PS states are stable only at $T>0$. Two different critical values of $|W_{2}|/W_{1}$ are determined for the PS states, in which two ordered phases of the same type (i.e., two domains of the DCO or TCO phase) coexist.

cond-mat.str-el↗

arXiv2021

Charge-Order on the Triangular Lattice: A Mean-Field Study for the Lattice $S=1/2$ Fermionic Gas

The adsorbed atoms exhibit tendency to occupy a triangular lattice formed by periodic potential of the underlying crystal surface. Such a lattice is formed by, e.g., a single layer of graphane or the graphite surfaces as well as (111) surface of face-cubic center crystals. In the present work, an extension of the lattice gas model to $S=1/2$ fermionic particles on the two-dimensional triangular (hexagonal) lattice is analyzed. In such a model, each lattice site can be occupied not by only one particle, but by two particles, which interact with each other by onsite $U$ and intersite $W_{1}$ and $W_{2}$ (nearest and next-nearest-neighbor, respectively) density-density interaction. The investigated hamiltonian has a form of the extended Hubbard model in the atomic limit (i.e., the zero-bandwidth limit). In the analysis of the phase diagrams and thermodynamic properties of this model with repulsive $W_{1}>0$, the variational approach is used, which treats the onsite interaction term exactly and the intersite interactions within the mean-field approximation. The ground state ($T=0$) diagram for $W_{2}\leq0$ as well as finite temperature ($T>0$) phase diagrams for $W_{2}=0$ are presented. Two different types of charge order within $\sqrt{3} \times \sqrt{3}$ unit cell can occur. At $T=0$, for $W_{2}=0$ phase separated states are degenerated with homogeneous phases (but $T>0$ removes this degeneration), whereas attractive $W_2<0$ stabilizes phase separation at incommensurate fillings. For $U/W_{1}<0$ and $U/W_{1}>1/2$ only the phase with two different concentrations occurs (together with two different phase separated states occurring), whereas for small repulsive $0<U/W_{1}<1/2$ the other ordered phase also appears (with tree different concentrations in sublattices). The qualitative differences with the model considered on hypercubic lattices are also discussed.

cond-mat.str-el↗

arXiv2020

Extended Falicov-Kimball model: Hartree-Fock vs DMFT approach

In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field theory (DMFT). The model describes a system, where electrons with spin-$\downarrow$ are itinerant (with hopping amplitude $t$), whereas those with spin-$\uparrow$ are localized. The particles interact via on-site $U$ and intersite $V$ density-density Coulomb interactions. We show that the HFA description of the ground state properties of the model is equivalent to the exact DMFT solution and provides a qualitatively correct picture also for a range of small temperatures. It does capture the discontinuous transition between ordered phases at $U=2V$ for small temperatures as well as correct features of the continuous order-disorder transition. However, the HFA predicts that the discontinuous boundary ends at the isolated-critical point (of the liquid-gas type) and it does not merge with the continuous boundary. This approach cannot also describe properly a change of order of the continuous transition for large $V$ as well as various metal-insulator transitions found within the DMFT.

cond-mat.str-el↗

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

Anomalous Fano Resonance in Double Quantum Dot System Coupled to Superconductor

We analyze the influence of a local pairing on the quantum interference in nanoscopic systems. As a model system we choose the double quantum dot coupled to one metallic and one superconducting electrode in the T-shape geometry. The analysis is particularly valuable for systems containing coupled objects with considerably different broadening of energy levels. In such systems, the scattering of itinerant electrons on a discrete (or narrow) energy level gives rise to the Fano-type interference. Systems with induced superconducting order, along well understood Fano resonances, exhibit also another features on the opposite side of the Fermi level. The lineshape of these resonances differs significantly from their reflection on the opposite side of the Fermi level, and their origin was not fully understood. Here, considering the spin-polarized tunneling model, we explain a microscopic mechanism of a formation of these resonances and discuss the nature of their uncommon lineshapes. We show that the anomalous Fano profiles originate solely from the pairing of nonscattered electrons with scattered ones. We investigate also the interplay of each type of resonances with the Kondo physics and discuss the resonant features in differential conductivity.

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

Superconducting monolayer deposited on substrate: effects of the spin-orbit coupling induced by proximity effects

The spin-orbit coupling can lead to exotic states of matter and unexpected behavior of the system properties. In this paper, we investigate the influence of spin-orbit coupling induced by proximity effects on a monolayer of superconductor (with s-wave or d-wave pairing) placed on an insulating bulk. We show that the critical temperatures $T_{c}$ of the superconducting states can be tuned by the spin-orbit coupling both in the case of on-site and inter-site pairing. Moreover, we discuss a possibility of changing the location of the maximal $T_{c}$ from the half-filling into the underdoped or overdoped regimes.

cond-mat.supr-con↗

arXiv2017

Extended Falicov-Kimball model: exact solution for the ground state

The extended Falicov-Kimball model is analyzed exactly in the ground state at half filling in the limit of large dimensions. In the model the on-site and the intersite density-density interactions between all particles are included. We determined the model's phase diagram and found a discontinuous transition between two different charge-ordered phases. Our analytical calculations show that the ground state of the system is insulating for any nonzero values of the interaction couplings. We also show that the dynamical mean-field theory and the static broken-symmetry Hartree-Fock mean-field approximation give the same results for the model at zero temperature. In addition, we prove using analytical expressions that at infinitesimally small, but finite, temperatures the system can be metallic.

cond-mat.str-el↗

arXiv2017

Phase transitions in quasi-one dimensional system with unconventional superconductivity

The paper is devoted to a study of superconducting properties of population-imbalanced fermionic mixtures in quasi-one dimensional optical lattices. The system can be effectively described by the attractive Hubbard model with the Zeeman magnetic field term. We investigated the ground state phase diagram of the model as a function of the chemical potential and the magnetic field. The ground state of the system exhibits the conventional BCS-type superconductivity as well as the unconventional so-called Fulde-Ferrell-Larkin-Ovchinnikov state, in which the total momentum of Cooper pairs is non-zero. We determine the orders of transitions as well as the behavior of order parameters with a change of the model parameters.

cond-mat.quant-gas↗