arXiv subjects

R. O. Kuzian

Publications and source records attributed to R. O. Kuzian.

At least 19 recordsLinked to original sources

arXiv2026

Green's function theory of magnetism in Bi$_2$CuO$_4$: anisotropic Heisenberg XYZ model

The Green's function theory of Lymar' and Rudoi [Theor. Math. Phys. vol. 21, 990 (1974)] is generalized to the case of multiple intra- and inter-sublattice magnetic interactions in a collinear spin-half antiferromagnet and applied to magnetic excitations in Bi$_2$CuO$_4$. The spin Hamiltonian includes both the out-of-plane and in-plane symmetric anisotropy terms and the Zeeman term, which describes the interaction with an external magnetic field $B$ applied along the Néel vector. Within the spin-wave approximation we calculate spin excitation dispersion, antiferromagnetic resonance frequencies and the critical field $B_c$ of the spin-flop metamagnetic transition. A weak in-plane anisotropy is shown to result in a gap in the acoustic-like branch of the excitations. The gap nonlinearly depends on the external field and closes at $B=B_c$. An expression for the Neel temperature in the Tyablikov random phase approximation at zero field is derived. For the parameters derived from the recent inelastic neutron scattering study by Yuan et al. [Phys. Rev. B vol. 103, 134436 (2021)] it gives $T_{\rm N}\approx 52$~K.

cond-mat.mtrl-sci↗

arXiv2024

Fano physics behind the N-resonance in graphene

Bound states and scattering resonances in the unoccupied continuum of a two-dimensional crystal predicted in [Phys$.$Rev$.$ B 87, 041405(R) (2013)] are considered within an exactly solvable model. A close connection of the observed resonances with those arising in the Fano theory is revealed. The resonance occurs when the lateral scattering couples the layer-perpendicular incident electron wave to a strictly bound state. The coupling strength determines the location of the pole in the scattering amplitude in the complex energy plane, which is analytically shown to lead to a characteristic Fano-lineshape of the energy dependence of the electron transmissivity through the crystal. The implications for the timing of the resonance scattering are discussed. The analytical results are illustrated by ab initio calculations for a graphene monolayer.

cond-mat.mes-hall↗

arXiv2024

Negative transit time in non-tunneling electron transmission through graphene multilayers

Attosecond dynamics of electron transmission through atomically-thin crystalline films is studied with an {\em ab initio} scattering theory. The temporal character of the electron propagation through graphene multilayers is traced to the band structure of bulk graphite: In the forbidden gaps the wave packet transit time $τ_\mathrm{T}$ saturates with thickness and in the allowed bands $τ_\mathrm{T}$ oscillates following transmission resonances. Hitherto unknown negative transit time due to in-plane scattering is discovered in monolayers of graphene, h-BN, and oxygen. Moreover, Wigner time delay is found to diverge at the scattering resonances caused by the emergence of secondary diffracted beams. This offers a way to manipulate the propagation timing of the wave packet without sacrificing the transmitted intensity. The spatial reshaping of the wave packet at the resonances may help elucidate details of the streaking by an inhomogeneous field at the surface.

cond-mat.mtrl-sci↗

arXiv2024

Attosecond dynamics of electron scattering by an absorbing layer

Attosecond dynamics of electron reflection from a thin film is studied based on a one-dimensional jellium model. Following the Eisenbud-Wigner-Smith concept, the reflection time delay $Δτ_{\rm R}$ is calculated as the energy derivative of the phase of the complex reflection amplitude $r$. For a purely elastic scattering by a jellium slab of a finite thickness $d$ the transmission probability $T$ oscillates with the momentum $K$ in the solid with a period $π/d$, and $Δτ_{\rm R}$ closely follows these oscillations. The reflection delay averaged over an energy interval grows with $d$, but in the limit of $d\to\infty$ the amplitude $r$ becomes real, so $Δτ_{\rm R}$ vanishes. This picture changes substantially with the inclusion of an absorbing potential $-iV_{\rm i}$: As expected, for a sufficiently thick slab the reflection amplitude now tends to its asymptotic value for a semi-infinite crystal. Interestingly, for $V_{\rm i} \ne 0$, around the $T(E)$ maxima, the $Δτ_{\rm R}(E)$ curve strongly deviates from $T(E)$, showing a narrow dip just at the $Δτ_{\rm R}(E)$ maximum for $V_{\rm i}=0$. An analytical theory of this counterintuitive behavior is developed.

cond-mat.mtrl-sci↗

arXiv2021

Ab initio ligand field approach to determine electronic multiplet properties

A method is developed to calculate the ligand field (LF) parameters and the multiplet spectra of local magnetic centers with open $d$- and $f$-shells in solids in a parameter-free way. This method proceeds from density functional theory and employs Wannier projections of nonmagnetic band structures onto local $d$- or $f$-orbitals. Energies of multiplets and optical, as well as X-ray spectra are determined by exact numerical diagonalization of a local Hamiltonian describing Coulomb, LF, and spin-orbit interactions. The method is tested for several 3$d$- and 5$f$-compounds for which the LF parameters and multiplet spectra are experimentally well known. In this way, we obtain good agreement with experiment for La$_2$NiO$_4$, CaCuO$_2$, Li$_2$CuO$_2$, ZnO:Co, and UO$_2$.

cond-mat.str-el↗

arXiv2021

Comment on "Distinction of Electron Dispersion in Time-Resolved Photoemission Spectroscopy"

In a recent paper [Phys. Rev. Lett. 125, 043201 (2020)] (Ref.1) Liao et al. propose a theory of the interferometric photoemission delay based on the concepts of the photoelectron phase and photoelectron effective mass. The present comment discusses the applicability and limitations of the proposed approach based on an ab initio analysis supported by vast literature. Two central assumptions of the paper are questioned, namely that the photoelectron can be characterized by a phase (have a well-defined phase velocity), and that it can always be ascribed an effective mass Theories based on these concepts are concluded to be inapplicable to real solids, which is illustrated by the example of the system addressed in Ref. 1. That the basic assumptions of the theory are never fulfilled in nature discredits the underlying idea of the "time-domain interferometric solid-state energy-momentum-dispersion imaging method" suggested in Ref. 1. Apart from providing a necessary caution to experimentalists, the present comment also gives an insight into the photoelectron wave function and points out problems and pitfalls inherent in modeling real crystals.

cond-mat.mtrl-sci↗

arXiv2019

Highly dispersive magnons with spin-gap like features in the frustrated ferromagnetic S=1/2 chain compound Ca2Y2Cu5O10 detected by inelastic neutron scattering

We report inelastic neutron scattering experiments in Ca2Y2Cu5O10 and map out the full one magnon dispersion which extends up to a record value of 53 meV for frustrated ferromagnetic (FM) edge-sharing CuO2 chain (FFESC) cuprates. A homogeneous spin-1/2 chain model with a FM nearest-neighbor (NN), an antiferromagnetic (AFM) next-nearest-neighbor (NNN) inchain, and two diagonal AFM interchain couplings (ICs) analyzed within linear spin-wave theory (LSWT) reproduces well the observed strong dispersion along the chains and a weak one perpendicularly. The ratio R=|J_{a2}/J_{a1}| of the FM NN and the AFM NNN couplings is found as ~0.23, close to the critical point Rc=1/4 which separates ferromagnetically and antiferromagnetically correlated spiral magnetic ground states in single chains, whereas Rc>0.25 for coupled chains is considerably upshifted even for relatively weak IC. Although the measured dispersion can be described by homogeneous LSWT, the scattering intensity appears to be considerably reduced at ~11.5 and ~28 meV. The gap-like feature at 11.5 meV is attributed to magnon-phonon coupling whereas based on DMRG simulations of the dynamical structure factor the gap at 28 meV is considered to stem partly from quantum effects due to the AFM IC. Another contribution is ascribed to the intrinsic superstructure from the distorting incommensurate pattern of CaY cationic chains adjacent to the CuO2 ones. It gives rise to non-equivalent CuO4 units and Cu-O-Cu bond angles Phi and a resulting distribution of all exchange integrals. The J's fitted by homogeneous LSWT are regarded as average values. The record value of the FM NN integral J1=24 meV among FFESC cuprates can be explained by a non-universal Phi (not 90 deg.) and Cu-O bond length dependent anisotropic mean direct FM Cu-O exchange K_{pd}~120 meV. Enhanced K_{pd} values are also needed to compensate a significant AFM J_{dd} > ~6 meV.

cond-mat.str-el↗

arXiv2018

Comment on `Oxygen vacancy-induced magnetic moment in edge-sharing CuO$_{2}$ chains of Li$_{2}$CuO$_{2}$'

In a recent work devoted to the magnetism of Li$_{2}$CuO$_{2}$, Shu et al. [New J. Phys. 19 (2017) 023026] have proposed a "simplified" unfrustrated microscopic model that differs considerably from the models refined through decades of prior work. We show that the proposed model is at odds with known experimental data, including the reported magnetic susceptibility $χ(T)$ data up to 550~K. Using an 8$^{\rm th}$ order high-temperature expansion for $χ(T)$, we show that the experimental data for Li$_{2}$CuO$_{2}$ are consistent with the prior model derived from inelastic neutron scattering (INS) studies. We also establish the $T$-range of validity for a Curie-Weiss law for the real frustrated magnetic system. We argue that the knowledge of the long-range ordered magnetic structure for $T<T_N$ and of $χ(T)$ in a restricted $T$-range provides insufficient information to extract all of the relevant couplings in frustrated magnets; the saturation field and INS data must also be used to determine several exchange couplings, including the weak but decisive frustrating antiferromagnetic (AFM) interchain couplings.

cond-mat.str-el↗

arXiv2016

Cluster superconductivity in the magnetoelectric Pb(Fe1/2Sb1/2)O3 ceramics

We report the observation of cluster (local) superconductivity in the magnetoelectric Pb(Fe1/2Sb1/2)O3 ceramics prepared at a hydrostatic pressure of 6 GPa and temperatures 1200-1800 K to stabilize the perovskite phase. The superconductivity is manifested by an abrupt drop of the magnetic susceptibility at the critical temperature TC 7 K. Both the magnitude of this drop and TC decrease with magnetic field increase. Similarly, the low-field paramagnetic absorption measured by EPR spectrometer drops significantly below TC as well. The observed effects and their critical magnetic field dependence are interpreted as manifestation of the superconductivity and Meissner effect in metallic Pb nanoclusters existing in the ceramics. Their volume fraction and average size were estimated as 0.1-0.2% and 140-150 nm, respectively. The superconductivity related effects disappear after oxidizing annealing of the ceramics.

cond-mat.mtrl-sci↗

arXiv2016

One-step approach to ARPES from strongly correlated solids: a Mott-Hubbard system

An expression is derived for angle-resolved photocurrent from a semi-infinite correlated system. Within the sudden approximation, the photocurrent is proportional to the spectral function of a one-particle two-time retarded Green's function $\mathcal{G}$ of an operator that creates an electron in a special quantum state $χ$ localized at the surface. For a system described by a many-body single-band model we present an analytical expression that relates the Green's function $\mathcal{G}$ with the Green's function of an infinite crystal $G_{b,\mathbf{k}}(ω)$ in Wannier representation. The role of final states and of the crystal surface is analysed for a model Green's function of the infinite crystal with a three-peak spectral function typical of a Mott-Hubbard metal. The momentum dependence of both the quasiparticle pole position and the spectral weight of the incoherent band manifest themselves in the shape of the photocurrent energy distribution curve.

cond-mat.str-el↗

arXiv2016

Lieb-Mattis ferrimagnetism in diluted magnetic semiconductors

We show the possibility of long-range ferrimagnetic ordering with a saturation magnetisation of the order of 1 Bohr magneton per spin for arbitrarily low concentration of magnetic impurities in semiconductors, provided that the impurities form a superstructure satisfying the conditions of the Lieb-Mattis theorem. Explicit examples of such superstructures are given for the wurtzite lattice, and the temperature of ferrimagnetic transition is estimated from a high-temperature expansion. Exact diagonalization studies show that small fragments of the structure exhibit enhanced magnetic response and isotropic superparamagnetism at low temperatures. A quantum transition in a high magnetic field is considered and similar superstructures in cubic semiconductors are discussed as well.

cond-mat.mtrl-sci↗

arXiv2014

Geometrical origin of ferrimagnetism and superparamagnetism in Fe-based double perovskite multiferroics

We show that a superstructure of antiferromagnetically interacting Fe$^{3+}$ ($S=5/2$) ions in double perovskites AFe$_{1/2}$M$_{1/2}$O$_{3}$ exhibits a ferrimagnetic ordering below $T_{fe} \approx 5.6J_1$ ($J_1/k_B \sim 50$~K), which is close to room temperature. Small clusters of the same structure exhibit a superparamagnetic behavior at $T \lesssim T_{fe}$. The possibility of formation of such clusters explains the room-temperature (superpara)magnetism in 3$d$-metal based oxides.

cond-mat.mtrl-sci↗

arXiv2013

Magnetic interactions in disordered perovskite PbFe_{1/2}Nb_{1/2}O_3 and related compounds. Dominance of nearest-neighbor interaction

We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor interaction J_1 is more than 20 times the next-nearest neighbor interaction J_2, the third-nearest interaction along the space diagonal of the cube being negligible. We argue that the variety of magnetic properties observed in different systems is connected with the variety of chemical ordering in them. We analyze six possible types of the chemical ordering in 2x2x2 supercell, and argue that the probability to find them in a real compound does not correspond to a random occupation of lattice sites by magnetic ions. The exchange J_2 rather than J_1 define the magnetic energy scale of most double perovskite compounds that means the enhanced probability of 1:1 short range ordering. Two multiferroic compounds PbFe_{1/2}M_{1/2}O_3 (M=Nb, Ta) are exceptions. We show that the relatively high temperature of antiferromagnetic transition is compatible with a layered short-range chemical order, which was recently shown to be most stable for these two compounds [I. P. Raevski, {\em et al.}, Phys.\ Rev.\ B \textbf{85}, 224412 (2012)]. We show also that one of the types of ordering has ferrimagnetic ground state. The clusters with short-range order of this type may be responsible for a room-temperature superparamagnetism, and may form the cluster glass at low temperatures.

cond-mat.mtrl-sci↗

arXiv2013

Interplay of inter-chain interactions and exchange anisotropy: Stability of multipolar states in quasi-1D quantum helimagnets

We quantify the instability towards the formation of multipolar states in coupled spin-1/2 chain systems with a frustrating J1-J2 exchange, in parameter regimes that are of directly relevance to edge-shared cuprate spin-chain compounds. Three representative types of inter-chain coupling and the presence of uniaxial exchange anisotropy are considered. The magnetic phase diagrams are determined by Density Matrix Renormalization Group calculations and completed by exact analytic results for the nematic and dipolar phases. We establish that the residual couplings strongly affect the pitch of spiral states and their instability to multipolar phases. Our theoretical results bring to the fore novel candidate materials close to quantum nematic/triatic ordering.

cond-mat.str-el↗

arXiv2013

Orbital polaron in double exchange ferromagnets

We investigate the spectral properties of the two-orbital Hubbard model, including the double hopping term, by means of the dynamical mean field method. This Hamiltonian describes materials in which ferromagnetism is realized by the double exchange mechanism, like for instance manganites, nickelates or diluted magnetic semiconductors. The spectral function of the unoccupied states is characterized by a specific equidistant three peak structure. We emphasize the importance of the double hopping term on the spectral properties. We show the existence of a ferromagnetic phase due to electron doping near n=1 by the double exchange mechanism. A quasi-particle excitation at the Fermi energy is found that we attribute to what we will call an orbital polaron. We derive an effective spin-pseudospin Hamiltonian for the two-orbital double exchange model at n=1 filling to explain the existence and dynamics of this quasi-particle.

cond-mat.str-el↗

arXiv2012

Ca2Y2Cu5O10: the first frustrated quasi-1D ferromagnet close to criticality

Ca2Y2Cu5O10 is build up from edge-shared CuO4 plaquettes forming spin chains. From inelastic neutron scattering data we extract an in-chain nearest neighbor exchange J1 approximately -170 K and the frustrating next neighbor J2 approximately 32 K interactions, both significantly larger than previous estimates. The ratio alpha= J2/J1 approximately 0.19 places the system very close to the critical point alpha_c=0.25 of the J1-J2 chain, but in the ferromagnetic regime. We establish that the vicinity to criticality only marginally affects the dispersion and coherence of the elementary spin-wave-like magnetic excitations, but instead results in a dramatic T-dependence of high-energy Zhang-Rice singlet excitation intensities.

cond-mat.str-el↗

arXiv2011

Saturation field of frustrated chain cuprates: broad regions of predominant interchain coupling

An efficient and precise thermodynamic method to extract the interchain coupling (IC) of spatially anisotropic 2D or 3D spin-1/2 systems from their empirical saturation field H_s (T=0) is proposed. Using density-matrix renormalization group, hard-core boson, and spin-wave theory we study how H_s is affected by an antiferromagnetic (AFM) IC between frustrated chains described in the J_1-J_2-spin model with ferromagnetic 1st and AFM 2nd neighbor in-chain exchange. A complex 3D-phase diagram has been found. For Li2CuO2 and Y2Ca2Cu5O10, we show that H_s is solely determined by the IC and predict H_s approx 61 T for the latter.Using H_s approx 55 T from our high-field pulsed measurements one reads out a weak IC for Li2CuO2 close to that from neutron scattering.

cond-mat.str-el↗

arXiv2010

Mechanisms of magnetoelectricity in manganese doped incipient ferroelectrics

We report magnetization measurements and magnetic resonance data for SrTiO3 doped by manganese. We show that the recently reported coexistent spin and dipole glass (multiglass) behaviours are strongly affected by the distribution of Mn ions between the Sr and Ti sites. Motivated by this finding we calculate the magnetic interactions between Mn impurities of different kinds. Both LSDA+U and many-body perturbation theory evidence that magnetic and magnetoelectric interactions are mediated by Mn$_B^{4+}$ ions substituting for Ti. We propose two microscopic magnetoelectric coupling mechanisms, which can be involved in all magnetoelectric systems based on incipient ferroelectrics. In the first one, the electric field modifies the spin susceptibility via spin-strain coupling of Mn$_{B}^{4+}$. The second mechanism concerns Mn pairs coupled by the position-dependent exchange interaction.

cond-mat.mtrl-sci↗