arXiv subjects

A. S. Moskvin

Publications and source records attributed to A. S. Moskvin.

At least 37 records · Page 2Linked to original sources

arXiv2021

Phase separation in high-T$_c$ cuprates

We develop a minimal non-BCS model for the CuO$_2$ planes with the on-site Hilbert space reduced to only three effective valence centers CuO$_4$ with different charge, conventional spin, and orbital symmetry, combined in a charge triplet. Using the S=1 pseudospin algebra we introduce an effective spin-pseudospin Hamiltonian. To illustrate the possibilities of the molecular field approximation we start with the analysis of the atomic and the "large negative-$U$" limits of the model in comparison with the Bethe cluster approximation, classical and quantum Monte Carlo methods. Both limiting systems exhibit the phase separation effect typical of systems with competing order parameters. The $T$\,-\,$n$ phase diagrams of the complete spin-pseudospin model were reproduced by means of a site-dependent variational approach within effective field approximation typical for spin-magnetic systems. Limiting ourselves to two-sublattice approximation and $nn$-couplings we arrived at several Néel-like phases in CuO$_2$ planes for parent and doped systems with a single nonzero local order parameter: antiferromagnetic insulator, charge order, glueless $d$-wave Bose superfluid phase, and unusual metallic phase. However, the global minimum of free energy is realized for phase separated states which are bounded by the third-order phase transition line $T^{\star}(n)$, which is believed to be responsible for the onset of the pseudogap phenomenon. With a certain choice of the Hamiltonian parameters the model phase diagrams can quite reasonably reproduce the main features of experimental phase diagrams for T- and T$^{\prime}$-cuprates and novel nickelates. The superconducting phase of cuprates/nickelates is determined by the on-site composite boson transport, it is not a consequence of pairing of doped holes/electrons, but represents one of the possible phase states of parent systems.

cond-mat.supr-con↗

arXiv2021

Monte Carlo simulation of a model cuprate

We develop a classical Monte Carlo algorithm based on a quasi-classical approximation for a pseudospin S=1 Hamiltonian in real space to construct a phase diagram of a model cuprate with a high Tc. A model description takes into account both local and nonlocal correlations, Heisenberg spin-exchange interaction, correlated single-particle, and two-particle transport. We formulate a state selection algorithm for a given parameterization of the wave function in order to ensure a uniform distribution of states in the phase space. The simulation results show a qualitative agreement with the experimental phase diagrams.

cond-mat.str-el↗

arXiv2021

Critical Temperatures of Hard-Core Boson Model on Square Lattice within Bethe Approximation

The short-range correlations are considered for a two-dimensional hard-core boson model on square lattice within Bethe approximation for the clusters consisting of two and four sites. Explicit equations are derived for the critical temperatures of charge and superfluid ordering and their solutions are considered for various ratios of the charge-charge correlation parameter to the transfer integral. It is shown that taking into account short-range correlations for the temperatures of charge ordering results in the appearance of the critical concentration of bosons, which restricts the existence domain of the solutions of charge ordering type. In the case of superfluid ordering with the assumption of short-range correlations, the critical temperature is reduced up to zero values at half-filling. A phase diagram of the hard-core boson model is constructed with the assumption of phase separation within Maxwell's construction and it is shown that taking into account short-range correlations within Bethe approximation quantitatively approximates the form of phase diagram to the results of the quantum Monte Carlo method.

cond-mat.stat-mech↗

arXiv2021

Temperature effect on the cardiac ryanodine receptor gating and conductance: mathematical modelling

The temperature effect on the cardiac ryanodine receptor (RyR) function has been studied within the electron-conformational (EC) model. It is shown that simple EC model with the Arrhenius like temperature dependence of "internal" and "external" frictions and a specific thermosensitivity of the tunnelling "open - close" transitions can provide both qualitative and quantitative description of the temperature effects for isolated RyRs. The potential of the model was illustrated by explaining the experimental data on the temperature dependence of sheep's isolated cardiac RyR gating and conductance (R. Sitsapesan et al., J Physiol 434, 469 (1991)).

physics.bio-ph↗

arXiv2021

Internal friction as possible key factor governing the thermosensitivity of TRP channels

Six thermo-activated transient receptor potential (TRP) channels are the molecular basis of the thermosensation for mammals. But the molecular source of their gating remains unknown. In the Letter, we suggest a physically based model for the TRP channels and show that the temperature dependence of the "internal friction" can be a key factor governing the ion channels gating. Results of the computer modeling allowed us to successfully reproduce the experimental data for the open probability Popen of the TRPV1 and TRPM8 channels at different temperatures and voltages.

physics.bio-ph↗

arXiv2021

Dzyaloshinskii interaction and exchange-relativistic effects in orthoferrites

We present an overview of the microscopic theory of the Dzyaloshinskii-Moriya (DM) coupling and related exchange-relativistic effects such as exchange anisotropy, electron-nuclear antisymmetric supertransferred hyperfine interactions, antisymmetric magnetogyrotropic effects, and antisymmetric magnetoelectric coupling in strongly correlated 3$d$ compounds focusing on orthoferrites RFeO$_3$ (R is a rare-earth ion or yttrium Y). % Particular emphasis will be placed on the role of crystal field effects, the sense and direction of the Dzyaloshinskii vector, its dependence on the superexchange bonding geometry, and other subtle features of exchange-relativistic effects. Most attention in the paper centers around the derivation of the Dzyaloshinskii vector, its value, orientation, and sense (sign) under different types of the (super)exchange interaction and crystal field. Microscopically derived expression for the dependence of the Dzyaloshinskii vector on the superexchange geometry allows one to find all the overt and hidden canting angles in orthoferrites RFeO$_3$ as well as corresponding contribution to magnetic anisotropy. Being based on the theoretical predictions regarding the sign of the Dzyaloshinskii vector we have predicted and study in detail a novel magnetic phenomenon, {\it weak ferrimagnetism} in mixed weak ferromagnets with competing signs of the Dzyaloshinskii vectors. The ligand NMR measurements in weak ferromagnets are shown to be an effective tool to inspect the effects of DM coupling in an external magnetic field. Along with orthoferrites RFeO$_3$ and weak ferrimagnets RFe$_{1-x}$Cr$_x$O$_3$, although to a lesser extent, we address such typical weak ferromagnets as $α$-Fe$_2$O$_3$, FeBO$_3$, and FeF$_3$.

cond-mat.str-el↗

arXiv2020

NMR study of magnetic structure and hyperfine interactions in binary helimagnet FeP

We report a detailed study of the ground state helical magnetic structure in monophosphide FeP by means of ${}^{31}$P NMR spectroscopy. We show that the zero-field NMR spectrum of the polycrystalline sample provides strong evidence of an anisotropic distribution of local magnetic fields at the P site with substantially lower anharmonicity than that found at the Fe site by Mössbauer spectroscopy. From field-sweep ${}^{31}$P NMR spectra we conclude that a continuous spin-reorientation transition occurs in an external magnetic field range of 4 - 7 T, which is also confirmed by specific-heat measurements. We observe two pairs of magnetically inequivalent phosphorus positions resulting in a pronounced four-peak structure of the single crystal ${}^{31}$P NMR spectra characteristic of an incommensurate helimagnetic ground state. We revealed a spatial redistribution of local fields at the P sites caused by Fe spin-reorientation transition in high fields and developed an effective approach to account for it. We demonstrate that all observed ${}^{31}$P spectra can be treated within a model of an isotropic helix of Fe magnetic moments in the ($ab$)-plane with a phase shift of 36$^{\circ}$ and 176$^{\circ}$ between Fe1-Fe3 (Fe2-Fe4) and Fe1-Fe2 (Fe3-Fe4) sites, respectively, in accordance with the neutron scattering data.

cond-mat.str-el↗

arXiv2020

Effective-field theory for high-$T_c$ cuprates

Starting with a minimal model for the CuO$_2$ planes with the on-site Hilbert space reduced to only three effective valence centers [CuO$_4$]$^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) with different conventional spin and different orbital symmetry we propose a unified non-BCS model that allows one to describe the main features of the phase diagrams of doped cuprates within the framework of a simple effective field theory.

cond-mat.supr-con↗

arXiv2019

Dzyaloshinskii-Moriya coupling in 3d insulators

We present an overview of the microscopic theory of the Dzyaloshinskii-Moriya (DM) coupling in strongly correlated 3d compounds. Most attention in the paper centers around the derivation of the Dzyaloshinskii vector, its value, orientation, and sense (sign) under different types of the (super)exchange interaction and crystal field. We consider both the Moriya mechanism of the antisymmetric interaction and novel contributions, in particular, that of spin-orbital coupling on the intermediate ligand ions. We have predicted a novel magnetic phenomenon, {\it weak ferrimagnetism} in mixed weak ferromagnets with competing signs of the Dzyaloshinskii vectors. We revisit a problem of the DM coupling for a single bond in cuprates specifying the local spin-orbital contributions to Dzyaloshinskii vector focusing on the oxygen term. We predict a novel puzzling effect of the on-site staggered spin polarization to be a result of the on-site spin-orbital coupling and the the cation-ligand spin density transfer. The intermediate ligand NMR measurements are shown to be an effective tool to inspect the effects of the DM coupling in an external magnetic field. We predict the effect of a $strong$ oxygen weak antiferromagnetism in edge-shared CuO$_2$ chains due to uncompensated oxygen Dzyaloshinskii vectors. We revisit the effects of symmetric spin anisotropy directly induced by the DM coupling. A critical analysis will be given of different approaches to exchange-relativistic coupling based on the cluster and the DFT based calculations. Theoretical results are applied to different classes of 3d compounds from conventional weak ferromagnets ($α$-Fe$_2$O$_3$, FeBO$_3$, FeF$_3$, RFeO$_3$, RCrO$_3$,.. ) to unconventional systems such as weak ferrimagnets (e.g., RFe$_{1-x}$Cr$_x$O$_3$), helimagnets (e.g., CsCuCl$_3$), and parent cuprates (La$_2$CuO$_4$,...).

cond-mat.str-el↗

arXiv2019

The MFA ground states for the extended Bose-Hubbard model with a three-body constraint

We address the intensively studied extended bosonic Hubbard model (EBHM) with truncation of the on-site Hilbert space to the three lowest occupation states n=0,1,2 in frames of the S=1 pseudospin formalism. Similar model was recently proposed to describe the charge degree of freedom in a model high-Tc cuprate with the on-site Hilbert space reduced to the three effective valence centers, nominally Cu^{1+;2+;3+} . With small corrections the model becomes equivalent to a strongly anisotropic S=1 quantum magnet in an external magnetic field. We have applied a generalized mean-field approach and quantum Monte-Carlo technique for the model 2D S=1 system with a two-particle transport to find the ground state phase with its evolution under deviation from half-filling.

cond-mat.supr-con↗

arXiv2019

Asymptotics of quasi-classical localized states in 2D system of charged hard-core bosons

The continuous quasi-classical two-sublattice approximation is constructed for the 2D system of charged hard-core bosons to explore metastable inhomogeneous states analogous to inhomogeneous localized excitations in magnetic systems. The types of localized excitations are determined by asymptotic analysis and compared with numerical results. Depending on the homogeneous ground state, the excitations are the ferro and antiferro type vortices, the skyrmion-like topological excitations or linear domain walls.

cond-mat.supr-con↗

arXiv2019

Phase diagrams of a 2D Ising spin-pseudospin model

We consider the competition of magnetic and charge ordering in high-Tc cuprates within the framework of the simplified static 2D spin-pseudospin model. This model is equivalent to the 2D dilute antiferromagnetic (AFM) Ising model with charged impurities. We present the mean-field results for the system under study and make a brief comparison with classical Monte Carlo (MC) calculations. Numerical simulations show that the cases of strong exchange and strong charge correlation differ qualitatively. For a strong exchange, the AFM phase is unstable with respect to the phase separation (PS) into the charge and spin subsystems, which behave like immiscible quantum liquids. An analytical expression was obtained for the PS temperature.

cond-mat.stat-mech↗

arXiv2018

Superconductivity in model cuprate as an S=1 pseudomagnon condensation

We make use of the S=1 pseudospin formalism to describe the charge degree of freedom in a model high-$T_c$ cuprate with the on-site Hilbert space reduced to the three effective valence centers, nominally Cu$^{1+,\,2+,\,3+}$. Starting with a parent cuprate as an analogue of the quantum paramagnet ground state and using the Schwinger boson technique we found the pseudospin spectrum and conditions for the pseudomagnon condensation with phase transition to a superconducting state.

cond-mat.supr-con↗

arXiv2014

Local intra-unit-cell order parameters in cuprates

Starting with the on-site Hilbert space reduced to only three effective valence centers, nominally Cu$^{1+,2+,3+}$, we present an unified approach to the description of the local intra-unit-cell (IUC) order parameters in cuprates. Central point of the model implies the occurrence of unconventional on-site quantum superpositions of the three valent states characterized by different hole occupation, $n_h$=0,1,2, conventional spin s=1/2 for Cu$^{2+}$ and s=0 for Cu$^{1+,3+}$ centers, and different orbital symmetry:$B_{1g}$ for the ground states of the Cu$^{2+}$ center and $A_{1g}$ for the Cu$^{1+,3+}$ centers, respectively. The latter does result in a spontaneous orbital symmetry breaking with emergence of the IUC orbital nematic order parameter of the $B_{1g}\propto d_{x2-y2}$ symmetry. To describe the quantum local charge order we develop an S=1 pseudospin model. Conventional spin density $ρ_s$ for mixed valence superpositions can vary inbetween 0 and 1 in accordance with the weight of the Cu$^{2+}$ center in the superposition. We show that the superconductivity and spin magnetism are nonsymbiotic phenomena with competing order parameters. Furthermore we argue that instead of a well-isolated Zhang-Rice (ZR) singlet $^1A_{1g}$ the ground state of the hole Cu$^{3+}$ center in cuprates should be described by a complex $^1A_{1g}$-$^{1,3}B_{2g}$-$^{1,3}E_u$ multiplet, formed by a competition of conventional hybrid Cu 3d-O 2p $b_{1g}(σ)\propto d_{x^2 -y^2}$ state and {\it purely oxygen nonbonding} O 2p$π$ states with $a_{2g}(π)$ and $e_{ux,y}(π)$ symmetry. In contrast with inactive ZR singlet we arrive at several novel competing IUC orbital and spin-orbital order parameters, e.g., electric dipole and quadrupole moments, Ising-like net orbital magnetic moment, orbital toroidal moment, intra-plaquette's staggered order of Ising-like oxygen orbital magnetic moments.

cond-mat.supr-con↗

arXiv2014

Pseudospin S=1 description of the cuprate complexity: the charge triplets model

We introduce a minimal model for 2D cuprates with the on-site Hilbert space reduced to only three effective valence centers CuO$_4^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) and make use of the S=1 pseudospin formalism. Despite its seeming simplicity the model is believed to capture the salient features both of the hole- and electron-doped cuprates. The pseudospin formalism elucidates an unique fermion-boson duality of the doped cuprates, does provide an unified standpoint for classification of the "myriad"\, of electronic phases in cuprates and the evolution of the CuO$_2$ planes under a nonisovalent doping, introduces the on-site mixed valence quantum superpositions and order parameters to be novel features of the cuprate physics, does provide a comprehensive description of the correlated one- and two-particle transport, coexistence of $p$- and $n$-type carriers, electron-hole asymmetry, anticorrelation of conventional spin and superconducting order parameters. Concept of the electron and hole centers, differing by a composite local boson, and electron-hole pairing are shown to explain central points of the cuprate puzzles, in particular, the HTSC itself, pseudogap, and Fermi surface reconstruction.

cond-mat.supr-con↗

arXiv2014

Pseudospin S=1 formalism and skyrmion-like excitations in the three body constrained extended Bose-Hubbard model

We have focused in the paper on the most prominent and intensively studied S=1 pseudospin formalism for extended bosonic Hubbard model (EHBM) with truncation of the on-site Hilbert space to the three lowest occupation states n = 0, 1, 2. The EHBM Hamiltonian is a paradigmatic model for the highly topical field of ultracold gases in optical lattices. Generalized non-Heisenberg effective pseudospin Hamiltonian does provide a deep link with boson system and physically clear description of "the myriad of phases" from uniform Mott insulating phases and density waves to two types of superfluids and supersolids. We argue that the 2D pseudospin system is prone to a topological phase separation and focus on several types of unconventional skyrmion-like topological structures in 2D boson systems, which have not been analysed till now. The structures are characterized by a complicated interplay of insulating and the two superfluid phases with a single boson and two-boson condensation, respectively.

cond-mat.supr-con↗

arXiv2014

The Löwdin orthogonalization and magnetoelectric coupling for noncentrosymmetric ions

The Loewdin orthogonalization procedure being the well-known technique, particularly in quantum chemistry, however, gives rise to novel effects missed in earlier studies. Making use of the technique of irreducible tensorial operators we have developed a regular procedure for account of the orthogonalization effects. For illustration we address the emergence of a specific magnetoelectric coupling for noncentrosymmetric 3d or 4f ions.

cond-mat.str-el↗

arXiv2013

Perspectives of the disproportionation driven superconductivity in strongly correlated 3d compounds

Disproportionation in 3d compounds can give rise to an unconventional electron-hole Bose liquid with a very rich phase diagram from a Bose metal, charge ordering insulator to an inhomogeneous Bose superfluid. Optimal conditions for the disproportionation driven high-T_c superconductivity are shown to realize only for several Jahn-Teller d^n configurations that permit the formation of well defined local composite bosons. These are the high-spin d^4, low-spin d^7, and d^9 configurations given the octahedral crystal field, and the d^1, high-spin d^6 configurations given the tetrahedral crystal field. The disproportionation reaction has a peculiar anti-Jahn- Teller character lifting the bare orbital degeneracy. Superconductivity in the d^4 and d^6 systems at variance with d^1, d^7, and d^9 systems implies an unavoidable coexistence of the spin-triplet composite bosons and a magnetic lattice. We argue that unconventional high-T_c superconductivity observed in quasi-2D cuprates with tetragonally distorted CuO_6 octahedra and iron-based layered pnictides/chalcogenides with tetrahedrally coordinated Fe^2+ ions can be a key argument supporting the disproportionation scenario is at work in these compounds.

cond-mat.supr-con↗