arXiv subjects

Alexander V. Balatsky

Publications and source records attributed to Alexander V. Balatsky.

At least 73 records · Page 4Linked to original sources

arXiv2018

Multiferroic Quantum Criticality

The zero-temperature limit of a continuous phase transition is marked by a quantum critical point, which can generate exotic physics that extends to elevated temperatures. Magnetic quantum criticality is now well known, and has been explored in systems ranging from heavy fermion metals to quantum Ising materials. Ferroelectric quantum critical behaviour has also been recently established, motivating a flurry of research investigating its consequences. Here, we introduce the concept of multiferroic quantum criticality, in which both magnetic and ferroelectric quantum criticality occur in the same system. We develop the phenomenology of multiferroic quantum critical behaviour, describe the associated experimental signatures, and propose material systems and schemes to realize it.

cond-mat.mtrl-sci↗

arXiv2018

First principles investigation of nanopore sequencing using variable voltage bias on graphene-based nanoribbons

In this study, we examine the mechanism of nanopore-based DNA sequencing using a voltage bias across a graphene nanoribbon. Using density functional theory and a non-equilibrium Green's function approach, we determine the transmission spectra and current profile for adenine, guanine, cytosine, thymine, and uracil as a function of bias voltage in an energy minimized configuration. Utilizing the transmission current, we provide a general methodology for the development of a three nanopore graphene-based device that can be used to distinguish between the various nucleobases for DNA/RNA sequencing. From our analysis, we deduce that it is possible to use different transverse currents across a multi-nanopore device to differentiate between nucleobases using various voltages of 0.5, 1.3, and 1.6 V. Overall, our goal is to improve nanopore design to further DNA/RNA nucleobase sequencing and biomolecule identification techniques.

cond-mat.mes-hall↗

arXiv2018

Superconductivity at low density near a ferroelectric quantum critical point: doped SrTiO

Recent experiments on electron- or hole-doped SrTiO$_{3}$ have revealed a hitherto unknown form of superconductivity, where the Fermi energy of the paired electrons is much lower than the energies of the bosonic excitations thought to be responsible for the attractive interaction. We show that this situation requires a fresh look at the problem calling for (i) a systematic modeling of the dynamical screening of the Coulomb interaction by ionic and electronic charges, (ii) a transverse optical phonon mediated pair interaction and (iii) a determination of the energy range over which the pairing takes place. We argue that the latter is essentially given by the limiting energy beyond which quasiparticles cease to be well defined. The model allows to find the transition temperature as a function of both, the doping concentration and the dielectric properties of the host system, in good agreement with experimental data. The additional interaction mediated by the transverse optical soft phonon is shown to be essential in explaining the observed anomalous isotope effect. The model allows to capture the effect of the incipient (or real) ferroelectric phase in pure, or oxygen isotope substituted SrTiO$_{3}$ .

cond-mat.supr-con↗

arXiv2018

Spatial dependence of the superexchange interactions for transition-metal trimers in graphene

This study examines the magnetic interactions between spatially-variable manganese and chromium trimers substituted into a graphene superlattice. Using density functional theory, we calculate the electronic band structure and magnetic populations for the determination of the electronic and magnetic properties of the system. To explore the super-exchange coupling between the transition-metal atoms, we establish the magnetic magnetic ground states through a comparison of multiple magnetic and spatial configurations. Through an analysis of the electronic and magnetic properties, we conclude that the presence of transition-metal atoms can induce a distinct magnetic moment in the surrounding carbon atoms as well as produce an RKKY-like super-exchange coupling. It hoped that these simulations can lead to the realization of spintronic applications in graphene through electronic control of the magnetic clusters.

cond-mat.mtrl-sci↗

arXiv2018

Materials Informatics for Dark Matter Detection

Dark Matter particles are commonly assumed to be weakly interacting massive particles (WIMPs) with a mass in the GeV to TeV range. However, recent interest has shifted towards lighter WIMPs, which are more difficult to probe experimentally. A detection of sub-GeV WIMPs would require the use of small gap materials in sensors. Using recent estimates of the WIMP mass, we identify the relevant target space towards small gap materials (100-10 meV). Dirac Materials, a class of small- or zero-gap materials, emerge as natural candidates for sensors for Dark Matter detection. We propose the use of informatics tools to rapidly assay materials band structures to search for small gap semiconductors and semimetals, rather than focusing on a few preselected compounds. As a specific example of the proposed strategy, we use the organic materials database (omdb.diracmaterials.org) to identify organic candidates for sensors: the narrow band gap semiconductors BNQ-TTF and DEBTTT with gaps of 40 and 38 meV, and the Dirac-line semimetal (BEDT-TTF)$\cdot$Br which exhibits a tiny gap of $\approx$ 50 meV when spin-orbit coupling is included. We outline a novel and powerful approach to search for dark matter detection sensor materials by means of a rapid assay of materials using informatics tools.

cond-mat.mtrl-sci↗

arXiv2018

Helical metals and insulators and sheet singularity of inflated Berry monopole

We study the new phases of interacting Dirac matter that host novel Berry signatures. We predict a topological Lifshitz phase transition caused by the changes of a Dirac cone intersection from a semimetalic phase to helical insulating or metallic phases. These helical phases provide the examples of gapless topological phase where spectral gap is not required for a topological protection. To realize nodal helical phases one would need to consider isotropic infinite-range inter-particle interaction. This interaction could emerge because of a momentum conserving scattering of electron from a bosonic mode. For repulsive/attractive interactions in density/pseudospin channel system undergoes a transition to helical insulator phase. For an attractive density-density interaction, a new metallic phase forms that hosts {\it nodal circle} and {\it nodal sphere} in two and three dimensions, respectively. A {\it sheet singularity} of Berry curvature is highlighted as a peculiar feature of the nodal sphere phase in 3D and represent the extension of the Berry monopole singularities into inflated monopole. To illustrate the properties of these helical phases we investigate Landau levels in both metallic and insulating phases. Our study provides an extension of the paradigm in the interacting Dirac matter and makes an interesting connection to inflated topological singularities in cosmology.

cond-mat.str-el↗

arXiv2018

Online Search Tool for Graphical Patterns in Electronic Band Structures

We present an online graphical pattern search tool for electronic band structure data contained within the Organic Materials Database (OMDB) available at https://omdb.diracmaterials.org/search/pattern. The tool is capable of finding user-specified graphical patterns in the collection of thousands of band structures from high-throughput ab initio calculations in the online regime. Using this tool, it only takes a few seconds to find an arbitrary graphical pattern within the ten electronic bands near the Fermi level for 26,739 organic crystals. The tool can be used to find realizations of functional materials characterized by a specific pattern in their electronic structure, for example, Dirac materials, characterized by a linear crossing of bands; topological insulators, characterized by a "Mexican hat" pattern or an effectively free electron gas, characterized by a parabolic dispersion. The source code of the developed tool is freely available at https://github.com/OrganicMaterialsDatabase/EBS-search and can be transferred to any other electronic band structure database. The approach allows for an automatic online analysis of a large collection of band structures where the amount of data makes its manual inspection impracticable.

cond-mat.mtrl-sci↗

arXiv2018

Theory of combustion in disordered media

The conventional theory of combustion describes systems where all of the parameters are spatially homogeneous. On the other hand, combustion in disordered explosives has long been known to occur after local regions of the material, called "hot spots", are ignited. In this article we show that a system of randomly distributed hot spots exhibits a dynamic phase transition, which, depending on parameters of the system can be either first or second order. These two regimes are separated by a tri-critical point. We also show that on the qualitative level the phase diagram of the system is universal. It is valid in two and three dimensions, in the cases when the hot spots interact either by heat or sound waves and in a broad range of microscopic disorder models.

cond-mat.dis-nn↗

arXiv2018

Odd-frequency Pairing in Conventional Josephson Junctions

Using a simple theoretical model, we demonstrate the emergence of odd-frequency pair amplitudes in conventional Josephson junctions both in the absence of a voltage (DC effect) and in the presence of a finite voltage (AC effect). In both cases, we find that odd-frequency interlead pairing emerges whenever a Josephson current is expected to flow. Additionally, we show that the interlead spin-susceptibility is directly influenced by the presence of the odd-frequency pair amplitudes. Specifically, we find that the spin-susceptibility is suppressed when the odd-frequency component is the largest. By establishing a novel link between the physics of Josephson junctions and odd-frequency pairing, this work demonstrates the importance of odd-frequency pairing for understanding conventional superconducting systems.

cond-mat.supr-con↗

arXiv2018

Towards Novel Organic High-$T_\mathrm{c}$ Superconductors: Data Mining using Density of States Similarity Search

Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining techniques highly accelerated this process in different areas of research during the past years. The strength of a data-driven approach for materials prediction lies in narrowing down the search space of thousands of materials to a subset of prospective candidates. Recently, the open-access organic materials database OMDB was released providing electronic structure data for thousands of previously synthesized three-dimensional organic crystals. Based on the OMDB, we report about the implementation of a novel density of states similarity search tool which is capable of retrieving materials with similar density of states to a reference material. The tool is based on the approximate nearest neighbor algorithm as implemented in the ANNOY library and can be applied via the OMDB web interface. The approach presented here is wide-ranging and can be applied to various problems where the density of states is responsible for certain key properties of a material. As the first application, we report about materials exhibiting electronic structure similarities to the aromatic hydrocarbon p-terphenyl which was recently discussed as a potential organic high-temperature superconductor exhibiting a transition temperature in the order of 120~K under strong potassium doping. Although the mechanism driving the remarkable transition temperature remains under debate, we argue that the density of states, reflecting the electronic structure of a material, might serve as a crucial ingredient for the observed high-$T_\mathrm{c}$. To provide candidates which might exhibit comparable properties, we present 15 purely organic materials with similar features to p-terphenyl...

cond-mat.supr-con↗

arXiv2018

Symmetry analysis of odd- and even-frequency superconducting gap symmetries for time-reversal symmetric interactions

Odd-frequency superconductivity describes a class of superconducting states where the superconducting gap is an odd function in relative time and Matsubara frequency. We present a group theoretical analysis based on the linearized gap equation in terms of Shubnikov groups of the second kind. By discussing systems with spin-orbit coupling and an interaction kernel which is symmetric under the reversal of relative time, we show that both even- and odd-frequency gaps are allowed to occur. Specific examples are discussed for the square lattice, the octahedral lattice, and the tetragonal lattice. For irreducible representations that are even under reversal of relative time the common combinations of $s$- and d-wave spin singlet and p-wave spin triplet gaps are revealed, irreducible representations that are odd under reversal of relative time give rise to $s$- and d-wave spin triplet and p-wave spin singlet gaps. Furthermore, we discuss the construction of a generalized Ginzburg-Landau theory in terms of the associated irreducible representations. The result complements the established classification of superconducting states of matter.

cond-mat.supr-con↗

arXiv2017

Invariance of topological indices under Hilbert space truncation

We show that the topological index of a wavefunction, computed in the space of twisted boundary phases, is preserved under Hilbert space truncation, provided the truncated state remains normalizable. If truncation affects the boundary condition of the resulting state, the invariant index may acquire a different physical interpretation. If the index is symmetry protected, the truncation should preserve the protecting symmetry. We discuss implications of this invariance using paradigmatic integer and fractional Chern insulators, $Z_2$ topological insulators, and Spin-$1$ AKLT and Heisenberg chains, as well as its relation with the notion of bulk entanglement. As a possible application, we propose a partial quantum tomography scheme from which the topological index of a generic multi-component wavefunction can be extracted by measuring only a small subset of wavefunction components, equivalent to the measurement of a bulk entanglement topological index.

cond-mat.str-el↗

arXiv2017

Complexity and geometry of quantum state manifolds

We show that the Hilbert space spanned by a continuously parametrized wavefunction family---i.e., a quantum state manifold---is dominated by a subspace, onto which all member states have close to unity projection weight. Its characteristic dimensionality $D_P$ is much smaller than the full Hilbert space dimension, and is equivalent to a statistical complexity measure $e^{S_2}$, where $S_2$ is the $2^{nd}$ Renyi entropy of the manifold. In the thermodynamic limit, $D_P$ closely approximates the quantum geometric volume of the manifold under the Fubini-Study metric, revealing an intriguing connection between information and geometry. This connection persists in compact manifolds such as a twisted boundary phase, where the corresponding geometric circumference is lower bounded by a term proportional to its topological index, reminiscent of entanglement entropy.

cond-mat.stat-mech↗

arXiv2017

Excitonic instability in optically-pumped three-dimensional Dirac materials

Recently it was suggested that transient excitonic instability can be realized in optically-pumped two-dimensional (2D) Dirac materials (DMs), such as graphene and topological insulator surface states. Here we discuss the possibility of achieving a transient excitonic condensate in optically-pumped three-dimensional (3D) DMs, such as Dirac and Weyl semimetals, described by non-equilibrium chemical potentials for photoexcited electrons and holes. Similar to the equilibrium case with long-range interactions, we find that for pumped 3D DMs with screened Coulomb potential two possible excitonic phases exist, an excitonic insulator phase and the charge density wave phase originating from intranodal and internodal interactions, respectively. In the pumped case, the critical coupling for excitonic instability vanishes; therefore, the two phases coexist for arbitrarily weak coupling strengths. The excitonic gap in the charge density wave phase is always the largest one. The competition between screening effects and the increase of the density of states with optical pumping results in a reach phase diagram for the transient excitonic condensate. Based on the static theory of screening, we find that under certain conditions for the value of the dimensionless coupling constant screening in 3D DMs can be weaker than in 2D DMs. Furthermore, we identify the signatures of the transient excitonic condensate that could be probed by scanning tunneling spectroscopy, photoemission and optical conductivity measurements. Finally, we provide estimates of critical temperatures and excitonic gaps for existing and hypothetical 3D DMs.

cond-mat.mtrl-sci↗

arXiv2017

Structural and electronic properties of $α,β$-(BEDT-TTF)$_2$I$_3$ and $κ$-(BEDT-TTF)$_2$X$_3$ (X=I,F,Br,Cl) organic charge transfer salts

(BEDT-TFF)$_2$I$_3$ charge transfer salts are reported to show superconductivity and pressure induced quasi two-dimensional Dirac cones at the Fermi level. By performing state of the art ab initio calculations in the framework of density functional theory, we investigate the structural and electronic properties of the three structural phases $α$, $β$ and $κ$. \edit{We furthermore report about the irreducible representations of the corresponding electronic band structures, symmetry of their crystal structure, and discuss the origin of band crossings. Additionally, we discuss the chemically induced strain in $κ$-(BEDT-TTF)$_2$I$_3$ achieved by replacing the Iodine layer with other Halogens: Fluorine, Bromine and Chlorine. In the case of $κ$-(BEDT-TTF)$_2$F$_3$, we identify topologically protected crossings within the band structure. These crossings are forced to occur due to the non-symmorphic nature of the crystal.} The calculated electronic structures presented here are added to the organic materials database (OMDB).

cond-mat.mtrl-sci↗

arXiv2017

Pair symmetry conversion in driven multiband superconductors

It was recently shown that odd-frequency superconducting pair amplitudes can be induced in conventional superconductors subjected to a spatially-nonuniform time-dependent drive. It has also been shown that, in the presence of interband scattering, multiband superconductors will possess bulk odd-frequency superconducting pair amplitudes. In this work we build on these previous results to demonstrate that by subjecting a multiband superconductor with interband scattering to a time-dependent drive even-frequency pair amplitudes can be converted to odd-frequency pair amplitudes and vice versa. We will discuss the physical conditions under which these pair symmetry conversions can be achieved and possible experimental signatures of their presence.

cond-mat.supr-con↗

arXiv2017

Dirac magnons in honeycomb ferromagnets

The discovery of the Dirac electron dispersion in graphene led to the question of the Dirac cone stability with respect to interactions. Coulomb interactions between electrons were shown to induce a logarithmic renormalization of the Dirac dispersion. With a rapid expansion of the list of compounds and quasiparticle bands with linear band touching, the concept of bosonic Dirac materials has emerged. We consider a specific case of ferromagnets consisting of the Van der Waals-bonded stacks of honeycomb layers, e.g chromium trihalides CrX3 (X = F, Cl, Br and I), that display two spin wave modes with energy dispersion similar to that for the electrons in graphene. At the single particle level, these materials resemble their fermionic counterparts. However, how different particle statistics and interactions affect the stability of Dirac cones has yet to be determined. To address the role of interacting Dirac magnons, we expand the theory of ferromagnets beyond the standard Dyson theory to a case of non-Bravais honeycomb layers. We demonstrate that magnon-magnon interactions lead to a significant momentum-dependent renormalization of the bare band structure in addition to strongly momentum-dependent magnon lifetimes. We show that our theory qualitatively accounts for hitherto unexplained anomalies in a nearly half century old magnetic neutron scattering data for CrBr3. We also show that honeycomb ferromagnets display dispersive surface and edge states, unlike their electronic analogs.

cond-mat.mtrl-sci↗

arXiv2017

Dynamical Multiferroicity

An appealing mechanism for inducing multiferroicity in materials is the generation of electric polarization by a spatially varying magnetization that is coupled to the lattice through the spin-orbit interaction. Here we describe the reciprocal effect, in which a time-dependent electric polarization induces magnetization even in materials with no existing spin structure. We develop a formalism for this dynamical multiferroic effect in the case for which the polarization derives from optical phonons, and compute the strength of the phonon Zeeman effect, which is the solid-state equivalent of the well-established vibrational Zeeman effect in molecules, using density functional theory. We further show that a recently observed behavior -- the resonant excitation of a magnon by optically driven phonons -- is described by the formalism. Finally, we discuss examples of scenarios that are not driven by lattice dynamics and interpret the excitation of Dzyaloshinskii-Moriya-type electromagnons and the inverse Faraday effect from the viewpoint of dynamical multiferroicity.

cond-mat.mtrl-sci↗