Engineering Transistorlike Optical Gain in Two-Dimensional Materials with Berry Curvature Dipoles.

Transistors are key elements of electronic circuits as they enable, for example, the isolation or amplification of voltage signals. While conventional transistors are point-type (lumped-element) devices, it may be interesting to realize a distributed transistor-type optical response in a bulk material. Here, we show that low-symmetry two-dimensional metallic systems may be the ideal solution to implement such a distributed-transistor response. To this end, we use the semiclassical Boltzmann equation approach to characterize the optical conductivity of a two-dimensional material under a static electric bias. Similar to the nonlinear Hall effect, the linear electro-optic (EO) response depends on the Berry curvature dipole and can lead to nonreciprocal optical interactions. Most interestingly, our analysis uncovers a novel non-Hermitian linear EO effect that can lead to optical gain and to a distributed transistor response. We study a possible realization based on strained bilayer graphene. Our analysis reveals that the optical gain for incident light transmitted through the biased system depends on the light polarization, and can be quite large, especially for multilayer configurations.

Connecting Higher-Order Topology with the Orbital Hall Effect in Monolayers of Transition Metal Dichalcogenides.

Monolayers of transition metal dichalcogenides (TMDs) in the 2H structural phase have been recently classified as higher-order topological insulators (HOTIs), protected by C_{3} rotation symmetry. In addition, theoretical calculations show an orbital Hall plateau in the insulating gap of TMDs, characterized by an orbital Chern number. We explore the correlation between these two phenomena in TMD monolayers in two structural phases: the noncentrosymmetric 2H and the centrosymmetric 1T. Using density functional theory, we confirm the characteristics of 2H TMDs and reveal that 1T TMDs are identified by a Z_{4} topological invariant. As a result, when cut along appropriate directions, they host conducting edge states, which cross their bulk energy-band gaps and can transport orbital angular momentum. Our linear response calculations thus indicate that the HOTI phase is accompanied by an orbital Hall effect. Using general symmetry arguments, we establish a connection between the two phenomena with potential implications for orbitronics and spin orbitronics.

Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides.

It has been recently shown that monolayers of transition metal dichalcogenides (TMDs) in the 2H structural phase exhibit relatively large orbital Hall conductivity plateaus within their energy band gaps, where their spin Hall conductivities vanish [Canonico et al., Phys. Rev. B 101, 161409 (2020)PRBMDO2469-995010.1103/PhysRevB.101.161409; Bhowal and Satpathy, Phys. Rev. B 102, 035409 (2020)PRBMDO2469-995010.1103/PhysRevB.102.035409]. However, since the valley Hall effect (VHE) in these systems also generates a transverse flow of orbital angular momentum, it becomes experimentally challenging to distinguish between the two effects in these materials. The VHE requires inversion symmetry breaking to occur, which takes place in the TMD monolayers but not in the bilayers. We show that a bilayer of 2H-MoS_{2} is an orbital Hall insulator that exhibits a sizeable orbital Hall effect in the absence of both spin and valley Hall effects. This phase can be characterized by an orbital Chern number that assumes the value C_{L}=2 for the 2H-MoS_{2} bilayer and C_{L}=1 for the monolayer, confirming the topological nature of these orbital-Hall insulator systems. Our results are based on density functional theory and low-energy effective model calculations and strongly suggest that bilayers of TMDs are highly suitable platforms for direct observation of the orbital Hall insulating phase in two-dimensional materials. Implications of our findings for attempts to observe the VHE in TMD bilayers are also discussed.

Far-field excitation of single graphene plasmon cavities with ultracompressed mode volumes.

Acoustic graphene plasmons are highly confined electromagnetic modes carrying large momentum and low loss in the mid-infrared and terahertz spectra. However, until now they have been restricted to micrometer-scale areas, reducing their confinement potential by several orders of magnitude. Using a graphene-based magnetic resonator, we realized single, nanometer-scale acoustic graphene plasmon cavities, reaching mode volume confinement factors of ~5 × 1010 Such a cavity acts as a mid-infrared nanoantenna, which is efficiently excited from the far field and is electrically tunable over an extremely large broadband spectrum. Our approach provides a platform for studying ultrastrong-coupling phenomena, such as chemical manipulation via vibrational strong coupling, as well as a path to efficient detectors and sensors operating in this long-wavelength spectral range.

KITE: high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures.

We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N ∼ 1010). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions.

Spin and Charge Transport of Multiorbital Quantum Spin Hall Insulators.

The fabrication of bismuthene on top of SiC paved the way for substrate engineering of room temperature quantum spin Hall insulators made of group V atoms. We perform large-scale quantum transport calculations in these two-dimensional (2D) materials to analyze the rich phenomenology that arises from the interplay between topology, disorder, valley, and spin degrees of freedom. For this purpose, we consider a minimal multiorbital real-space tight-binding Hamiltonian and use a Chebyshev polynomial expansion technique. We discuss how the quantum spin Hall states are affected by disorder, sublattice resolved potential, and Rashba spin-orbit coupling. It is also shown that these materials can be driven to a topological Anderson insulator phase by sufficiently strong disorder.

Real-space calculation of the conductivity tensor for disordered topological matter.

We describe an efficient numerical approach to calculate the longitudinal and transverse Kubo conductivities of large systems using Bastin's formulation. We expand the Green's functions in terms of Chebyshev polynomials and compute the conductivity tensor for any temperature and chemical potential in a single step. To illustrate the power and generality of the approach, we calculate the conductivity tensor for the quantum Hall effect in disordered graphene and analyze the effect of the disorder in a Chern insulator in Haldane's model on a honeycomb lattice.

Extrinsic spin Hall effect induced by resonant skew scattering in graphene.

We show that the extrinsic spin Hall effect can be engineered in monolayer graphene by decoration with small doses of adatoms, molecules, or nanoparticles originating local spin-orbit perturbations. The analysis of the single impurity scattering problem shows that intrinsic and Rashba spin-orbit local couplings enhance the spin Hall effect via skew scattering of charge carriers in the resonant regime. The solution of the transport equations for a random ensemble of spin-orbit impurities reveals that giant spin Hall currents are within the reach of the current state of the art in device fabrication. The spin Hall effect is robust with respect to thermal fluctuations and disorder averaging.

Manipulating spin and charge in magnetic semiconductors using superconducting vortices.

The continuous need for miniaturization and increase in device speed drives the electronics industry to explore new avenues of information processing. One possibility is to use electron spin to store, manipulate and carry information. All such 'spintronics' applications are faced with formidable challenges in finding fast and efficient ways to create, transport, detect, control and manipulate spin textures and currents. Here we show how most of these operations can be performed in a relatively simple manner in a hybrid system consisting of a superconducting film and a paramagnetic diluted magnetic semiconductor (DMS) quantum well. Our proposal is based on the observation that the inhomogeneous magnetic fields of the superconducting film create local spin and charge textures in the DMS quantum well, leading to a variety of effects such as Bloch oscillations and an unusual quantum Hall effect. We exploit recent progress in manipulating magnetic flux bundles (vortices) in superconductors and show how these can create, manipulate and control the spin textures in DMSs.