arXiv subjects

Evgeny Y. Tsymbal

Publications and source records attributed to Evgeny Y. Tsymbal.

At least 73 records · Page 4Linked to original sources

arXiv2020

Polar Coupling Enabled Nonlinear Optical Filtering at MoS$_2$/Ferroelectric Heterointerfaces

Complex oxide heterointerfaces and van der Waals heterostructures present two versatile but intrinsically different platforms for exploring emergent quantum phenomena and designing new functionalities. The rich opportunity offered by the synergy between these two classes of materials, however, is yet to be charted. Here, we report an unconventional nonlinear optical filtering effect resulting from the interfacial polar alignment between monolayer MoS$_2$ and a neighboring ferroelectric oxide thin film. The second harmonic generation response at the heterointerface is either substantially enhanced or almost entirely quenched by an underlying ferroelectric domain wall depending on its chirality, and can be further tailored by the polar domains. Unlike the extensively studied coupling mechanisms driven by charge, spin, and lattice, the interfacial tailoring effect is solely mediated by the polar symmetry, as well explained via our density functional theory calculations, pointing to a new material strategy for the functional design of nanoscale reconfigurable optical applications.

cond-mat.mes-hall↗

arXiv2020

Nonlinear anomalous Hall effect for Néel vector detection

Antiferromagnetic (AFM) spintronics exploits the Néel vector as a state variable for novel spintronic devices. Recent studies have shown that the field-like and antidamping spin-orbit torques (SOT) can be used to switch the Néel vector in antiferromagnets with proper symmetries. However, the precise detection of the Néel vector remains a challenging problem. In this letter, we predict that the nonlinear anomalous Hall effect (AHE) can be used to detect the Néel vector in most compensated antiferromagnets supporting the antidamping SOT. We show that the magnetic crystal group symmetry of these antiferromagnets combined with spin-orbit coupling produce a sizable Berry curvature dipole and hence the nonlinear AHE. As a specific example, we consider half-Heusler alloy CuMnSb, which Néel vector can be switched by the antidamping SOT. Based on density functional theory calculations, we show that the nonlinear AHE in CuMnSb results in a measurable Hall voltage under conventional experimental conditions. The strong dependence of the Berry curvature dipole on the Néel vector orientation provides a new detection scheme of the Néel vector based on the nonlinear AHE. Our predictions enrich the material platform for studying non-trivial phenomena associated with the Berry curvature and broaden the range of materials useful for AFM spintronics.

cond-mat.mtrl-sci↗

arXiv2020

Effects of Strain and Film Thickness on the Stability of the Rhombohedral Phase of HfO2

The discovery of ferroelectric polarization in HfO2-based ultrathin films has spawned a lot of interest due to their potential applications in data storage. Recently, a new R3m rhombohedral phase was proposed to be responsible for the emergence of ferroelectricity in the [111]-oriented Hf0.5Zr0.5O2 thin films, but the fundamental mechanism of ferroelectric polarization in such films remains poorly understood. In this paper, we employ density-functional-theory calculations to investigate structural and polarization properties of the R3m HfO2 phase. We find that the film thickness and in-plane compressive strain effects play a key role in stabilizing the R3m phase leading to robust ferroelectricity of [111]-oriented R3m HfO2.

cond-mat.mtrl-sci↗

arXiv2019

Epitaxial antiperovskite/perovskite heterostructures for materials design

We demonstrate fabrication of atomically sharp interfaces between nitride antiperovskite Mn$_{3}$GaN and oxide perovskites (La$_{0.3}$Sr$_{0.7}$)(Al$_{0.65}$Ta$_{0.35}$)O$_{3}$ (LSAT) and SrTiO$_{3}$ as paradigms of nitride-antiperovskite/oxide-perovskite heterostructures. Using a combination of scanning transmission electron microscopy (STEM), atomic-resolution spectroscopic techniques, and first-principle calculations, we investigated the atomic-scale structure, composition, and boding at the interface. We show that the epitaxial growth between the antiperovskite and perovskite compounds is mediated by a coherent interfacial monolayer that connects the two anti-structures. We anticipate our results to be a major step for the development of functional antiperovskite/perovskite heterostructures opening to harness a combination of their functional properties including topological properties for ultra low power applications.

cond-mat.mtrl-sci↗

arXiv2019

Unveiling multiferroic proximity effect in graphene

We demonstrate that electronic and magnetic properties of graphene can be tuned via proximity of multiferroic substrate. Our first-principles calculations performed both with and without spin-orbit coupling clearly show that by contacting graphene with bismuth ferrite BiFeO$_3$ (BFO) film, the spin-dependent electronic structure of graphene is strongly impacted both by the magnetic order and by electric polarization in the underlying BFO. Based on extracted Hamiltonian parameters obtained from the graphene band structure, we propose a concept of six-resistance device based on exploring multiferroic proximity effect giving rise to significant proximity electro- (PER), magneto- (PMR), and multiferroic (PMER) resistance effects. This finding paves a way towards multiferroic control of magnetic properties in two dimensional materials.

cond-mat.mtrl-sci↗

arXiv2019

Magnetoelectric control of topological phases in graphene

Topological antiferromagnetic (AFM) spintronics is an emerging field of research, which involves the topological electronic states coupled to the AFM order parameter known as the N$\acute{\rm e}$el vector. The control of these states is envisioned through manipulation of the N$\acute{\rm e}$el vector by spin-orbit torques driven by electric currents. Here we propose a different approach favorable for low-power AFM spintronics, where the control of the topological states in a two-dimensional material, such as graphene, is performed via the proximity effect by the voltage induced switching of the N$\acute{\rm e}$el vector in an adjacent magnetoelectric AFM insulator, such as chromia. Mediated by the symmetry protected boundary magnetization and the induced Rashba-type spin-orbit coupling at the interface between graphene and chromia, the emergent topological phases in graphene can be controlled by the N$\acute{\rm e}$el vector. Using density functional theory and tight-binding Hamiltonian approaches, we model a graphene/Cr2O3 (0001) interface and demonstrate non-trivial band gap openings in the graphene Dirac bands asymmetric between the K and K' valleys. This gives rise to an unconventional quantum anomalous Hall effect (QAHE) with a quantized value of $2e^2/h$ and an additional step-like feature at a value close to $e^2/2h$, and the emergence of the spin-polarized valley Hall effect (VHE). Furthermore, depending on the N$\acute{\rm e}$el vector orientation, we predict the appearance and transformation of different topological phases in graphene across the $180^{\circ}$ AFM domain wall, involving the QAHE, the valley-polarized QAHE and the quantum VHE (QVHE), and the emergence of the chiral edge state along the domain wall. These topological properties are controlled by voltage through magnetoelectric switching of the AFM insulator with no need for spin-orbit torques.

cond-mat.mes-hall↗

arXiv2019

Tunneling Anisotropic Magnetoresistance in Ferroelectric Tunnel Junctions

Using a simple quantum-mechanical model, we explore a tunneling anisotropic magnetoresistance (TAMR) effect in ferroelectric tunnel junctions (FTJs) with a ferromagnetic electrode and a ferroelectric barrier layer, which spontaneous polarization gives rise to the Rashba and Dresselhaus spin-orbit coupling (SOC). For realistic parameters of the model, we predict sizable TAMR measurable experimentally. For asymmetric FTJs, which electrodes have different work functions, the built-in electric field affects the SOC parameters and leads to TAMR dependent on ferroelectric polarization direction. The SOC change with polarization switching affects tunneling conductance, revealing a new mechanism of tunneling electroresistance (TER). These results demonstrate new functionalities of FTJs which can be explored experimentally and used in electronic devices.

cond-mat.mes-hall↗

arXiv2019

Tunneling anomalous Hall effect in a ferroelectric tunnel junction

We report on a theoretical study on the tunneling anomalous Hall effect (TAHE) in a ferroelectric tunnel junction (FTJ), resulting from spin-orbit coupling (SOC) in the ferroelectric barrier. For ferroelectric barriers with large SOC, such as orthorhombic HfO2 and BiInO3, we predict values of the tunneling anomalous Hall conductivity (TAHC) measurable experimentally. We demonstrate strong anisotropy in TAHC depending on the type of SOC. For the SOC with equal Rashba and Dresselhaus parameters, we predict the perfect anisotropy with zero TAHC for certain magnetization orientations. The TAHC changes sign with ferroelectric polarization reversal providing a new functionality of FTJs. Conversely, measuring the TAHC as a function of magnetization orientation offers an efficient way to quantify the type of SOC in the insulating barrier. Our results provide a new insight into the TAHE and open avenues for potential device applications.

cond-mat.mes-hall↗

arXiv2019

Spin-dependent transport in van der Waals magnetic tunnel junctions with Fe3GeTe2 electrodes

Van der Waals (vdW) heterostructures, stacking different two-dimensional materials, have opened up unprecedented opportunities to explore new physics and device concepts. Especially interesting are recently discovered two-dimensional magnetic vdW materials, providing new paradigms for spintronic applications. Here, using density functional theory (DFT) calculations, we investigate the spin-dependent electronic transport across vdW magnetic tunnel junctions (MTJs) composed of Fe3GeTe2 ferromagnetic electrodes and a graphene or hexagonal boron nitride (h-BN) spacer layer. For both types of junctions, we find that the junction resistance changes by thousands of percent when the magnetization of the electrodes is switched from parallel to antiparallel. Such a giant tunneling magnetoresistance (TMR) effect is driven by dissimilar electronic structure of the two spin-conducting channels in Fe3GeTe2, resulting in a mismatch between the incoming and outgoing Bloch states in the electrodes and thus suppressed transmission for an antiparallel-aligned MTJ. The vdW bounding between electrodes and a spacer layer makes this result virtually independent of the type of the spacer layer, making the predicted giant TMR effect robust with respect to strain, lattice mismatch, interface distance and other parameters which may vary in the experiment. We hope that our results will further stimulate experimental studies of vdW MTJs and pave the way for their applications in spintronics.

cond-mat.mtrl-sci↗

arXiv2019

Enhanced flexoelectricity at reduced dimensions revealed by mechanically tunable quantum tunnelling

Flexoelectricity is a universal electromechanical coupling effect whereby all dielectric materials polarize in response to strain gradients. In particular, nanoscale flexoelectricity promises exotic phenomena and functions, but reliable characterization methods are required to unlock its potential. Here, we report anomalous mechanical control of quantum tunnelling that allows for characterizing nanoscale flexoelectricity. By applying strain gradients with an atomic force microscope tip, we systematically polarize an ultrathin film of otherwise nonpolar SrTiO$_{3}$, and simultaneously measure tunnel current across it. The measured tunnel current exhibits critical behaviour as a function of strain gradients, which manifests large modification of tunnel barrier profiles via flexoelectricity. Further analysis of this critical behaviour reveals significantly enhanced flexocoupling strength in ultrathin SrTiO$_{3}$, compared to that in bulk, rendering flexoelectricity more potent at the nanoscale. Our study not only suggests possible applications exploiting dynamic mechanical control of quantum effect, but also paves the way to characterize nanoscale flexoelectricity.

cond-mat.mtrl-sci↗

arXiv2019

Dirac nodal line metal for topological antiferromagnetic spintronics

Topological antiferromagnetic (AFM) spintronics is an emerging field of research, which exploits the Néel vector to control the topological electronic states and the associated spin-dependent transport properties. A recently discovered Néel spin-orbit torque has been proposed to electrically manipulate Dirac band crossings in antiferromagnets; however, a reliable AFM material to realize these properties in practice is missing. Here, we predict that room temperature AFM metal MnPd$_{2}$ allows the electrical control of the Dirac nodal line by the Néel spin-orbit torque. Based on first-principles density functional theory calculations, we show that reorientation of the Néel vector leads to switching between the symmetry-protected degenerate state and the gapped state associated with the dispersive Dirac nodal line at the Fermi energy. The calculated spin Hall conductivity strongly depends on the Néel vector orientation and can be used to experimentally detect the predicted effect using a proposed spin-orbit torque device. Our results indicate that AFM Dirac nodal line metal MnPd$_{2}$ represents a promising material for topological AFM spintronics.

cond-mat.mes-hall↗

arXiv2019

Spin filtering in CrI$_3$ tunnel junctions

The recently discovered magnetism of two-dimensional (2D) van der Waals crystals have attracted a lot of attention. Among these materials is CrI$_3$ - a magnetic semiconductor exhibiting transitions between antiferromagnetic and ferromagnetic orderings under the influence of an applied magnetic field. Here, using first-principles methods based on density functional theory, we explore spin-dependent transport in tunnel junctions formed of fcc Cu (111) electrodes and a CrI$_3$ tunnel barrier. We find about 100% spin polarization of the tunneling current for a ferromagnetically-ordered four-monolayer CrI$_3$ and tunneling magnetoresistance of about 3,000% associated with a change of magnetic ordering in CrI$_3$. This behavior is understood in terms of the spin and wave-vector dependent evanescent states in CrI$_3$ which control the tunneling conductance. We find a sizable charge transfer from Cu to CrI$_3$ which adds new features to the mechanism of spin-filtering in CrI$_3$-based tunnel junctions. Our results elucidate the mechanisms of spin filtering in CrI3 tunnel junctions and provide important insights for the design of magnetoresistive devices based on 2D magnetic crystals.

cond-mat.mtrl-sci↗

arXiv2019

Anomalous Hall Conductivity of a Non-Collinear Magnetic Antiperovskite

The anomalous Hall effect (AHE) is a well-known fundamental property of ferromagnetic metals, commonly associated with the presence of a net magnetization. Recently, an AHE has been discovered in non-collinear antiferromagnetic (AFM) metals. Driven by non-vanishing Berry curvature of AFM materials with certain magnetic space group symmetry, anomalous Hall conductivity (AHC) is very sensitive to the specific type of magnetic ordering. Here, we investigate the appearance of AHC in antiperovskite GaNMn$_{3}$ as a representative of broader materials family ANMn$_{3}$ (A is a main group element), where different types of non-collinear magnetic ordering can emerge. Using symmetry analyses and first-principles density-functional theory calculations, we show that with almost identical band structure, the nearly degenerate non-collinear AFM $Γ_{5g}$ and $Γ_{4g}$ phases of GaNMn$_{3}$ have zero and finite AHC, respectively. In a non-collinear ferrimagnetic $M$-1 phase, GaNMn$_{3}$ exhibits a large AHC due to the presence of a sizable net magnetic moment. In the non-collinear antiperovskite magnets, transitions between different magnetic phases, exhibiting different AHC states, can be produced by doping, strain, or spin transfer torque, which makes these materials promising for novel spintronic applications.

cond-mat.mtrl-sci↗

arXiv2018

Tunable two-dimensional Dirac nodal nets

Nodal line semimetals are characterized by symmetry-protected band crossing lines and are expected to exhibit nontrivial electronic properties. Connections of the multiple nodal lines, resulting in nodal nets, chains, or links, are envisioned to produce even more exotic quantum states. In this work, we propose a feasible approach to realize tunable nodal line connections in real materials. We show that certain space group symmetries support the coexistence of the planar symmetry enforced and accidental nodal lines, which are robust to spin-orbit coupling and can be tailored into intricate patterns by chemical substitution, pressure, or strain. Based on first-principles calculations, we identify non-symmorphic centrosymmetric quasi-one-dimensional compounds, K$_{2}$SnBi and MX$_{3}$ (M = Ti, Zr, Hf and X = Cl, Br, I), as materials hosting such tunable 2D Dirac nodal nets. Unique Landau levels are predicted for the nodal line semimetals with the 2D Dirac nodal nets. Our results provide a viable approach for realize the novel physics of the nodal line connections in practice.

cond-mat.mes-hall↗

arXiv2018

Persistent spin texture enforced by symmetry

Persistent spin texture (PST) is the property of some materials to maintain a uniform spin configuration in the momentum space. This property has been predicted to support an extraordinarily long spin lifetime of carriers promising for spintronics applications. The PST is known to emerge when the strengths of two dominant spin-orbit couplings, the Rashba and linear Dresselhaus, are equal. This condition, however, is not trivial to achieve and requires tuning the Rashba and Dresselhaus parameters, as has been demonstrated with semiconductor quantum-well structures. Here we predict that there exist a class of non-centrosymmetric bulk materials where the PST is enforced by the non-symmorphic space group symmetry of the crystal. Around certain high symmetry points in the Brillouin zone, the sublattice degrees of freedom impose a constraint on the effective spin-orbit field, which remains independent of the momentum orientation and thus maintains the PST. We illustrate this behavior using density-functional theory calculations for a handful of promising candidates accessible experimentally. Among them is the ferroelectric oxide BiInO3-a wide band gap semiconductor which sustains a PST around the conduction band minimum. Our results broaden the range of materials, which can be employed in spintronics.

cond-mat.mtrl-sci↗

arXiv2018

Two-dimensional type-II Dirac fermions in a LaAlO3/LaNiO3/LaAlO3 quantum well

The type-II Dirac fermions that are characterized by a tilted Dirac cone and anisotropic magneto-transport properties have been recently proposed theoretically and confirmed experimentally. Here, we predict the emergence of two-dimensional type-II Dirac fermions in LaAlO3/LaNiO3/LaAlO3 quantum-well structures. Using first-principles calculations and model analysis, we show that the Dirac points are formed at the crossing between the dx2-y2 and dz2 bands protected by the mirror symmetry. The energy position of the Dirac points can be tuned to appear at the Fermi energy by changing the quantum-well width. For the quantum-well structure with a two-unit cell thick LaNiO3 layer, we predict the coexistence of the type-II Dirac points and the Dirac nodal line. The results are analyzed and interpreted using a tight-binding model and symmetry arguments. Our findings offer a practical way to realize the 2D type-II Dirac fermions in oxide heterostructures.

cond-mat.mtrl-sci↗

arXiv2017

Polarization-controlled modulation doping of a ferroelectric from first principles

In a ferroelectric field effect transistor (FeFET), it is generally assumed that the ferroelectric gate plays a purely electrostatic role. Recently it has been shown that in some cases, which could be called 'active FeFETs', electronic states in the ferroelectric contribute to the device conductance as the result of a modulation doping effect in which carriers are transferred from the channel into the ferroelectric layers near the interface. Here we report first-principles calculations and model analysis to elucidate the various aspects of this mechanism and to provide guidance in materials choices and interface termination for optimizing the on-off ratio, using BaTiO3/n-SrTiO3 and PbTiO3/n-SrTiO3 as prototypical systems. It is shown that the modulation doping is substantial in both cases, and that extension of an electrostatic model developed in previous work provides a good description of the transferred charge distribution. This model can be used to suggest additional materials heterostructures for the design of active FeFETs.

cond-mat.mtrl-sci↗

arXiv2017

Reversible spin texture in ferroelectric HfO2

Spin-orbit coupling effects occurring in non-centrosymmetric materials are known to be responsible for non-trivial spin configurations and a number of emergent physical phenomena. Ferroelectric materials may be especially interesting in this regard due to reversible spontaneous polarization making possible for a non-volatile electrical control of the spin degrees of freedom. Here, we explore a technologically relevant oxide material, HfO2, which has been shown to exhibit robust ferroelectricity in a non-centrosymmetric orthorhombic phase. Using theoretical modelling based on density-functional theory, we investigate the spin-dependent electronic structure of the ferroelectric HfO2 and demonstrate the appearance of chiral spin textures driven by spin-orbit coupling. We analyze these spin configurations in terms of the Rashba and Dresselhaus effects within the k.p Hamiltonian model and find that the Rashba-type spin texture dominates around the valence band maximum, while the Dresselhaus-type spin texture prevails around the conduction band minimum. The latter is characterized by a very large Dresselhaus constant αD = 0.578 eV Å, which allows using this material as a tunnel barrier to produce tunneling anomalous and spin Hall effects that are reversible by ferroelectric polarization.

cond-mat.mtrl-sci↗