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V. M. Silkin

Publications and source records attributed to V. M. Silkin.

At least 19 recordsLinked to original sources

Spin-orbit coupling effects in altermagnets: Interplay of weak spin and orbital ferromagnetism with relativistic splitting of electron states

The aim of the paper is to contribute to reaching a deeper understanding of the formation of relativistic effects in altermagnets. The focus of the paper is on the phenomena of weak ferromagnetism (WFM) and relativistic DFT calculations combined with the symmetry analysis on the basis of spin space groups. The consideration is performed on two different levels. On the first level, the atomistic magnetic structure of weak ferromagnetic state is calculated. Both spin and orbital atomic moments are taken into account. We study the dependence of the WFM moment on the strength of the SOC and obtain a peculiar nonmonotonous type of dependence. An interesting result is obtained in quasisymmetry (QS) calculation where only the component of the SOC collinear to the Néel vector is taken into account. In QS calculation the spin WFM is absent while the orbital WFM is present. This reveals a principal difference in the formation of the spin and orbital magnetic moments. On the second level, the study is focused on the properties of individual electron states. We introduce the notion of the magnetic structure of the electron state (MSES). It is shown how the collinear spin-MSESs of both metal and ligand atoms and compensated orbital-MSES of the ligand obtained in the nonrelativiatic calculation transform into complex noncollinear 3D MSESs of both spin and orbital nature. An important role in the formation of MSESs is played by the relativistic splitting of the accidental spin degeneracies at general {\bf k} points filling the volume of the Brillouin zone. The formation of the regions of avoided crossings in the relativistic band structure is related to the nonmonotonous behavior of the WFM moment. The importance of the metal-ligand hybridization in the formation of the AM properties is discussed. Most of the calculations are performed for MnTe.

cond-mat.mtrl-sci

Plasmon manipulation by exchange magnetic field in two-dimensional spin-orbit coupled electronic systems: A higher-order relativistic k.p study

A higher-order relativistic k.p model is developed to describe plasmon excitations in two-dimensional (2D) electronic systems with spin-orbit coupling (SOC) and magnetic-exchange interactions. Derived entirely from ab initio band structure, the model allows for a non-Rashba spin-momentum locking and enables a direct coupling of the exchange field to the real spin of electrons. Using the BiTeI trilayer (hexagonal C3v symmetry) and the Si-terminated surface state of TbRh2Si2 (cubic C4v symmetry) as prototypes, we show that the exchange field induces strong, symmetry-dependent modifications of the band structure and plasmon dispersion. In BiTeI, it breaks the sixfold symmetry and leads to anisotropic, nonreciprocal plasmon modes, while in TbRh2Si2 it suppresses the characteristic triple spin winding and alters the plasmon damping. The results reveal that the interplay between SOC and exchange magnetism enables magnetic control of collective charge excitations in 2D spin-orbit systems beyond the Rashba paradigm.

cond-mat.other

Direct ab initio calculation of magnons in altermagnets: method, spin-space symmetry aspects, and application to MnTe

We suggest the method for direct ab initio calculation of magnons in complex collinear magnets. The method is based on the density-functional-theory calculation under two different constraints: one constraint governs the change of the magnetization with respect to the ground state, and the other is the symmetry constraint responsible for the value of the magnon wave vector. The performance of the method is demonstrated by the application to an altermagnet MnTe. An important role in both the formulation and the application of the method play the aspects of generalized symmetry described by the spin-space groups. The symmetry analysis connects in one coherent picture the following three parts of the consideration: (i) the generalized translational symmetry of the magnons as a crucial condition for their efficient ab-initio calculation, (ii) altermagnetic spin-splitting of the electron states in the ground magnetic state, and (iii) chirality splitting of the magnon excitations. It is demonstrated that both the spin splitting of the electron states and the chirality splitting of the magnons have identical patterns in the corresponding wave vector spaces. Since the altermagnetism of MnTe is the consequence of the presence of the Te atoms, an adequate attention is devoted to the symmetry analysis and calculation results for the Te moments induced in the magnon states. The knowledge of the symmetry properties of the Te moments allows to accelerate the numerical convergence of the magnon states and serves as a test for the accuracy of the calculations. To expose the connection between electron band structures of the magnon states of the system and the chirality properties of these states we investigate the transformation of the electron structure in the transition from the collinear ground state to a noncollinear magnon state.

cond-mat.mtrl-sci

Competitive helical bands and highly efficient diode effect in F/S/TI/S/F hybrid structures

The diode effect in superconducting materials has been actively investigated in recent years. Plenty of different devices have been proposed as a platform to observe the superconducting diode effect. In this work we discuss the possibility of a highly efficient superconducting diode design with controllable polarity. We propose the mesoscopic device that consists of two separated superconducting islands with proximity induced ferromagnetism deposited on top of the three-dimensional topological insulator. Using the quasiclassical formalism of the Usadel equations we demonstrate that the sign of the diode efficiency can be controlled by magnetization tuning of a single superconducting island. Moreover, we show that the diode efficiency can be substantially increased in such device. We argue that the dramatic increase of the diode efficiency is due to competing contribution of the two superconducting islands to the supercurrent with single helical bands linked through the topological insulator surface.

cond-mat.supr-con

Doping dependence of low-energy charge collective excitations in high-T$_c$ cuprates

In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO$_2$ monolayer. In addition to the conventional two-dimensional (2D) gapless plasmon mode, our findings reveal the existence of three anomalous branches within the plasmon spectrum. Two of these branches are overdamped modes, designated as hyperplasmons, and the third is an almost one-dimensional plasmon mode (1DP). We derive an analytic expression for dynamic part of the response function. Furthermore, we investigated the effect of the doping on these modes. Our analysis demonstrates that in the doping level range close to the optimal doping level, the properties of all three modes undergo a significant transformation.

cond-mat.supr-con

Multiple localized-itinerant dualities in magnetism of 5f electron systems. The case of UPt$_2$Si$_2$

The paper deals with the U based compound UPt$_2$Si$_2$ (UPS). The material was first treated as a localized 5f-electron system. Later, an opposite opinion of a predominantly itinerant nature of the system was put forward. The most recent publications treat UPS as a dual material. We suggest a material specific theoretical model based on the density functional theory plus Hubbard $U$ (DFT+$U$) calculations that describes the set of fundamental ground-state properties and high magnetic field experiment. The ground state properties include antiferromagnetic magnetic structure, magnetic easy axis, and the value of the U atomic moment. The in-field experiment shows the presence of a strong metamagnetic transition for the field parallel to the easy axis in contrast to the hard field direction where such a feature is absent. On the other hand, comparable induced magnetization values are obtained for both easy and hard field directions. Within the framework of the suggested model we show that the compound possesses well-formed atomic moments built by electrons treated as delocalized. To understand the experimental high-field properties we estimate exchange energy, magnetic anisotropy energy, and Zeeman energy. All three energies are shown to have comparable values what is crucial for the interpretation of the experiment. At all steps of the study we devote special attention to revealing and emphasizing the dual itinerant-localized properties of the material. The obtained forms of the duality are different: well defined atomic moments formed by the itinerant electrons, interplay of the single-site and two-site anisotropies, strong localization of two of the 5f electrons in contrast to the itinerant nature of the 5f electrons contributing to the states around the Fermi level.

cond-mat.str-el

Formation of droplets of the order parameter and superconductivity in inhomogeneous Fermi-Bose mixtures (Brief review)

The studies of a number of systems treated in terms of an inhomogeneous (spatially separated) Fermi-Bose mixture with superconducting clusters or droplets of the order parameter in a host medium with unpaired normal states are reviewed. A spatially separated Fermi-Bose mixture is relevant to superconducting BaKBiO3 bismuth oxides. Droplets of the order parameter can occur in thin films of a dirty metal, described in the framework of the strongly attractive two-dimensional Hubbard model at a low electron density with a clearly pronounced diagonal disorder. The Bose-Einstein condensate droplets are formed in mixtures and dipole gases with an imbalance in the densities of the Fermi and Bose components. The Bose-Einstein condensate clusters also arise at the center or at the periphery of a magnetic trap involving spin-polarized Fermi gases. Exciton and plasmon collapsing droplets can emerge in the presence of the exciton-exciton or plasmon-plasmon interaction. The plasmon contribution to the charge screening in MgB2 leads to the formation of spatially modulated inhomogeneous structures. In metallic hydrogen and metal hydrides, droplets can be formed in shock-wave experiments at the boundary of the first-order phase transition between the metallic and molecular phases. In a spatially separated Fermi-Bose mixture arising in an Aharonov-Bohm interference ring with a superconducting bridge in a topologically nontrivial state, additional Fano resonances may appear and collapse due to the presence of edge Majorana modes in the system.

cond-mat.mes-hall

Phase diagrams of the superconducting diode effect in topological hybrid structures

Recently the superconducting diode effect (SDE) has attracted a lot of attention due to new possibilities in the field of superconducting electronics. One of the possible realizations of the SDE is the implementation in superconducting hybrid structures. In this case the SDE is achieved by means of the proximity effect. However, the optimal conditions for the SDE quality factor in hybrid devices remain unclear. In this study we consider the Superconductor/Ferromagnet/Topological insulator (S/F/TI) hybrid device and investigate the diode quality factor at different parameters of the hybrid structure. Consequently, we reveal important parameters that have crucial impact on the magnitude of the SDE quality factor.

cond-mat.supr-con

Dramatic Plasmon Response to the Charge-Density-Wave Gap Development in $1\textit{T}-{\mathrm{TiSe}}_{2}$

1T-TiSe2 is one of the most studied charge density wave (CDW) systems, not only because of its peculiar properties related to the CDW transition, but also due to its status as a promising candidate of exciton insulator signaled by the proposed plasmon softening at the CDW wave vector. Using high-resolution electron energy loss spectroscopy, we report a systematic study of the temperature-dependent plasmon behaviors of 1T-TiSe2. We unambiguously resolve the plasmon from phonon modes, revealing the existence of Landau damping to the plasmon at finite momentums, which does not support the plasmon softening picture for exciton condensation. Moreover, we discover that the plasmon lifetime at zero momentum responds dramatically to the bandgap evolution associated with the CDW transition. The interband transitions near the Fermi energy in the normal phase is demonstrated serving as a strong damping channel of plasmons, while such a channel in the CDW phase is suppressed due to the CDW gap opening, which results in the dramatic tunability of the plasmon in semimetals or small-gap semiconductors.

cond-mat.str-el

Reentrant superconductivity in proximity to a topological insulator

In the following paper we investigate the critical temperature $T_c$ behavior in the two-dimensional S/TI (S denotes superconductor and TI - topological insulator) junction with a proximity induced in-plane helical magnetization in the TI surface. The calculations of $T_c$ are performed using the general self-consistent approach based on the Usadel equations in Matsubara Green's functions technique. We show that the presence of the helical magnetization leads to the nonmonotonic behavior of the critical temperature as a function of the topological insulator layer thickness.

cond-mat.supr-con

Competitive 0 and π states in S/F multilayers: multimode approach

We have investigated the critical temperature behavior in periodic superconductor/ ferromagnet (S/F) multilayers as a function of the ferromagnetic layer thickness $d_f$ and the interface transparency. The critical temperature $T_c(d_f)$ exhibits a damped oscillatory behavior in these systems due to an exchange field in the ferromagnetic material. In this work we have performed $T_c$ calculations using the self-consistent multimode approach, which is considered to be exact solving method. Using this approach we have derived the conditions of 0 or $π$ state realization in periodic S/F multilayers. Moreover, we have presented the comparison between the single-mode and multimode approaches and established the limits of applicability of the single-mode approximation, frequently used by experimentalists.

cond-mat.supr-con

Controlling surface charge and spin density oscillations by Dirac plasmon interaction in thin topological insulators

We study the selective excitation at infrared and THz frequencies of optical and acoustic plasmonic modes supported by thin topological insulators. These modes are characterized by effective net charge or net spin density, respectively, and we study their excitation by combining many-body and electromagnetic calculations. We first show that non-locality can significantly modify the plasmonic response: it changes the energy of propagating plasmons up to tens of percent. We then discuss how, by changing the distance between a dipolar source and a semi-infinite 10 nm thin film, it is possible to control the excitation of acoustic and optical propagating plasmons, which can propagate over a distance of several plasmonic wavelengths. Furthermore, we consider 10 nm thin TI nanodisks and study the excitation of acoustic and optical localized plasmon modes by a point dipole source and plane wave illumination, respectively. The resonant plasmonic modes appear at frequencies that strongly depends on the size of the disk, and that can be potentially tuned by applying electrostatic gating to modify the Fermi Energy of the conductive 2-dimensional layer that forms at the interfaces of the TI. We observe a spectral shift from ~29 $μ$m to ~34 $μ$m by changing the Fermi Energy from 250meV to 350meV. Last, the electromagnetic energy of these plasmonics modes can be confined to very small regions, of effective volume ~(120 nm)^3 for the smaller disk considered, much less than the free-space wavelength cubed $λ$^3 ~(35000 nm)^3. The strong confinement is desirable for achieving very efficient coupling with nearby systems. Our detailed study thus shows that thin topological insulators are a promising system to control both the spin and charge oscillations associated with the plasmonic resonances, with possible applications to fast, compact and electrically-controlled spintronics devices.

cond-mat.mes-hall

Combined effect of doping and temperature on the anisotropy of low-energy plasmons in monolayer graphene

We compare the two-dimensional (2D) plasmon dispersion relations for monolayer graphene when the sample is doped with carriers in the conduction band and the temperature $T$ is zero with the case when the temperature is finite and there is no doping. Additionally, we have obtained the plasmon excitations when there is doping at finite temperature. The results were obtained in the random-phase approximation which employs energy electronic bands calculated using ab initio density functional theory. We found that in the undoped case the finite temperature results in appearance in the low-energy region of a 2D plasmon which is absent for the $T=0$ case. Its energy is gradually increased with increasing $T$. It is accompanied by expansion in the momentum range where this mode is observed as well. The 2D plasmon dispersion in the $Γ$M direction may differ in substantial ways from that along the $Γ$K direction at sufficiently high temperature and doping concentrations. Moreover, at temperatures exceeding $\approx300$ meV a second mode emerges along the $Γ$K direction at lower energies like it occurs at a doping level exceeding $\approx 300$ meV. Once the temperature exceeds $\approx 0.75$ eV this mode ceases to exit whereas the 2D plasmon exists as a well-defined collective excitation up to $T=1.5$ eV, a maximal temperature investigated in this work.

cond-mat.mes-hall

Electronic structure of graphene: (nearly) free electrons bands vs. tight-binding bands

In our previous paper (Phys. Rev. B {\bf 89}, 165430 (2014)) we have found that in graphene, in distinction to the four occupied bands, which can be described by the simple tight-binding model (TBM) with four atomic orbitals per atom, the two lowest lying at the $Γ$-point unoccupied bands (one of them of a $σ$ type and the other of a $π$ type) can not be described by such model. In the present work we suggest a minimalistic model for these two bands, based on (nearly) free electrons model (FEM), which correctly describes the symmetry of these bands, their dispersion law and their localization with respect to the graphene plane.

cond-mat.mes-hall

Odd-frequency superconductivity induced in topological insulators with and without hexagonal warping

We study the effect of the Fermi surface anisotropy on the odd-frequency spin-triplet pairing component of the induced pair potential. We consider a superconductor/ ferromagnetic insulator (S/FI) hybrid structure formed on the 3D topological insulator (TI) surface. In this case three ingredients insure the possibility of the odd-frequency pairing: 1) the topological surface states, 2) the induced pair potential, and 3) the magnetic moment of a nearby ferromagnetic insulator. We take into account the strong anisotropy of the Dirac cone in topological insulators when the chemical potential lies well above the Dirac cone and its constant energy contour has a snowflake shape. Within this model, we propose that the S/FI boundary should be properly aligned with respect to the snowflake constant energy contour to have an odd-frequency symmetry of the corresponding pairing component and to insure the Majorana bound state at the S/FI boundary. For arbitrary orientation of the boundary the Majorana bound state is absent. This provides a selection rule to the realization of Majorana modes in S/FI hybrid structures, formed on the topological insulator surface.

cond-mat.supr-con

Crystallographic orientation and induced potential effects in photoelectron emission from metal surfaces by ultrashort laser pulses

The influence of the crystallographic orientation of a typical metal surface, like aluminum, on electron emission spectra produced by grazing incidence of ultrashort laser pulses is investigated by using the band-structure-based-Volkov (BSB-V) approximation. The present version of the BSB-V approach includes not only a realistic description of the surface interaction, accounting for band structure effects, but also effects due to the induced potential that originates from the collective response of valence-band electrons to the external electromagnetic field. The model is applied to evaluate differential electron emission probabilities from the valence band of Al(100) and Al(111). For both crystallographic orientations, the contribution of partially occupied surface electronic states and the influence of the induced potential are separately analyzed as a function of the laser carrier frequency. We found that the induced potential strongly affects photoelectron emission distributions, opening a window to scrutinize band structure effects.

physics.atm-clus

Role of the kinematics of probing electrons in electron energy-loss spectroscopy of solid surfaces

Inelastic scattering of electrons incident on a solid surface is determined by the two properties: (i) electronic response of the target system and (ii) the detailed quantum-mechanical motion of the projectile electron inside and in the vicinity of the target. We emphasize the equal importance of the second ingredient, pointing out the fundamental limitations of the conventionally used theoretical description of the electron energy-loss spectroscopy (EELS) in terms of the ``energy-loss functions''. Our approach encompasses the dipole and impact scattering as specific cases, with the emphasis on the quantum-mechanical treatment of the probe electron. Applied to the high-resolution EELS of Ag surface, our theory largely agrees with recent experiments, while some instructive exceptions are rationalized.

cond-mat.mtrl-sci

Plasmon dissipation in gapped-graphene open systems at finite temperature

Numerical and closed-form analytic expressions for plasmon dispersion relations and rates of dissipation are first obtained at finite-temperatures for free-standing gapped graphene. These closed-system results are generalized to an open system with Coulomb coupling of graphene electrons to an external electron reservoir. New plasmon modes, as well as new plasmon dissipation channels, are found in this open system, including significant modifications arising from the combined effect of thermal excitation of electrons and an energy bandgap in gapped graphene. Moreover, the characteristics of the new plasmon mode and the additional plasmon dissipation may be fully controlled by adjusting the separation between the graphene layer from the surface of a thick conductor. Numerical results for the thermal shift of plasmon frequency in a doped gapped graphene layer, along with its sensitivity to the local environment, are demonstrated and analyzed. Such phenomenon associated with the frequency shift of plasmons may be applied to direct optical measurement of local electron temperature in transistors and nanoplasmonic structures.

cond-mat.mes-hall