Strong interplay between electron-phonon interaction and disorder in low doped systems

The effects of doping on the spectral properties of low doped systems are investigated by means of Coherent Potential Approximation to describe the distributed disorder induced by the impurities and Phonon-Phonon Non-Crossing Approximation to characterize a wide class of electron-phonon interactions which dominate the low-energy spectral features. When disorder and electron-phonon interaction work on comparable energy scales, a strong interplay between them arises, the effect of disorder can no more be described as a mere broadening of the spectral features and the phonon signatures are still visible despite the presence of strong disorder. As a consequence, the disorder-induced metal-insulator transition, is strongly affected by a weak or moderate electron-phonon coupling which is found to stabilize the insulating phase.Comment: New version with improved bibliography and discussio

Unconventional superconductivity in a doped quantum spin Hall insulator

A monolayer of jacutingaite (Pt$_2$HgSe$_3$) has recently been identified as a novel quantum spin Hall insulator. By first-principles calculations, we study its Fermiology in the doped regime and unveil a type-I and type-II van Hove singularity for hole and electron doping, respectively. We find that the common link between the propensity for a topological band gap at pristine filling and unconventional superconductivity at finite doping roots in the longer ranged hybridization integrals on the honeycomb lattice. In a combined effort of random phase approximation and functional renormalization group, we find chiral $d$-wave order for the type-I and odd-parity $f$-wave order for the type-II regime.Comment: 5 pages, 4 figures, Supplemental Materia

Substrate-supported triplet superconductivity in Dirac semimetals

Stimulated by the success of graphene and its emerging Dirac physics, the quest for versatile and tunable electronic properties in atomically thin systems has led to the discovery of various chemical classes of 2D compounds. In particular, honeycomb lattices of group-IV elements, such as silicene and germanene, have been found experimentally. Whether it is a necessity of synthesis or a desired feature for application purposes, most 2D materials demand a supporting substrate. In this work, we highlight the constructive impact of substrates to enable the realization of exotic electronic quantum states of matter, where the buckling emerges as the decisive material parameter adjustable by the substrate. At the example of germanene deposited on MoS$_2$, we find that the coupling between the monolayer and the substrate, together with the buckled hexagonal geometry, conspire to provide a highly suited scenario for unconventional triplet superconductivity upon adatom-assisted doping.Comment: 11 pages, 8 figure

Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds

By means of density functional theory calculations, we predict that several two dimensional AB binary monolayers, where A and B atoms belong to group IV or III-V, are ferroelectric. Dipoles arise from the buckled structure, where the A and B ions are located on the sites of a bipartite corrugated honeycomb lattice with trigonal symmetry. We discuss the emerging valley-dependent properties and the coupling of spin and valley physics, which arise from the loss of inversion symmetry, and explore the interplay between ferroelectricity and Rashba spin-spitting phenomena. We show that valley-related properties originate mainly from the binary nature of AB monolayers, while the Rashba spin-texture developing around valleys is fully controllable and switchable by reversing the ferroelectric polarization

Custodial glide symmetry of quantum spin Hall edge modes in WTe2_2 monolayer

A monolayer of WTe$_2$ has been shown to display quantum spin Hall (QSH) edge modes persisting up to 100~K in transport experiments. Based on density-functional theory calculations and symmetry-based model building including the role of correlations and substrate support, we develop an effective electronic model for WTe$_2$ which fundamentally differs from other prototypical QSH settings: we find that the extraordinary robustness of quantum spin Hall edge modes in WTe$_2$ roots in a glide symmetry due to which the topological gap opens away from high-symmetry points in momentum space. While the indirect bulk gap is much smaller, the glide symmetry implies a large direct gap of up to 1~eV in the Brillouin zone region of the dispersing edge modes, and hence enables sharply boundary-localized QSH edge states depending on the specific boundary orientation.Comment: 4+ page

Fe/GeTe(111) heterostructures as an avenue towards 'ferroelectric Rashba semiconductors'-based spintronics

By performing density functional theory (DFT) and Green's functions calculations, complemented by X-ray Photoemission Spectroscopy, we investigate the electronic structure of Fe/GeTe(111), a prototypical ferromagnetic/Rashba-ferroelectric interface. We reveal that such system exhibits several intriguing properties resulting from the complex interplay of exchange interaction, electric polarization and spin-orbit coupling. Despite a rather strong interfacial hybridization between Fe and GeTe bands, resulting in a complete suppression of the surface states of the latter, the bulk Rashba bands are hardly altered by the ferromagnetic overlayer. This could have a deep impact on spin dependent phenomena observed at this interface, such as spin-to-charge interconversion, which are likely to involve bulk rather than surface Rashba states.Comment: 8 pages, 4 figure

Strongly correlated double Dirac fermions

Double Dirac fermions have recently been identified as possible quasiparticles hosted by three-dimensional crystals with particular non-symmorphic point group symmetries. Applying a combined approach of ab-initio methods and dynamical mean field theory, we investigate how interactions and double Dirac band topology conspire to form the electronic quantum state of Bi$_2$CuO$_4$. We derive a downfolded eight-band model of the pristine material at low energies around the Fermi level. By tuning the model parameters from the free band structure to the realistic strongly correlated regime, we find a persistence of the double Dirac dispersion until its constituting time reveral symmetry is broken due to the onset of magnetic ordering at the Mott transition. We analyze pressure as a promising route to realize a double-Dirac metal in Bi$_2$CuO$_4$

Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics

By means of density functional theory based calculations, we study the role of spin-orbit coupling in the new family of ABC hyperferroelectrics [Phys. Rev. Lett. 112, 127601 (2014)]. We unveil an extremely rich physics strongly linked to ferroelectric properties, ranging from the electric control of bulk Rashba effect to the existence of a three dimensional topological insulator phase, with concomitant topological surface states even in the ultrathin film limit. Moreover, we predict that the topological transition, as induced by alloying, is followed by a Weyl semi-metal phase of finite concentration extension, which is robust against disorder, putting forward hyperferroelectrics as promising candidates for spin-orbitronic applications.Comment: 5 pages, 3 figure

The origin of Mooij correlations in disordered metals

Sufficiently disordered metals display systematic deviations from the behavior predicted by semi-classical Boltzmann transport theory. Here the scattering events from impurities or thermal excitations can no longer be considered as additive independent processes, as asserted by Matthiessen's rule following from this picture. In the intermediate region between the regime of good conduction and that of insulation, one typically finds a change of sign of the temperature coefficient of resistivity (TCR), even at elevated temperature spanning ambient conditions, a phenomenology that was first identified by Mooij in 1973. Traditional weak coupling approaches to identify relevant corrections to the Boltzmann picture focused on long distance interference effects such as "weak localization", which are especially important in low dimensions (1D, 2D) and close to the zero temperature limit. Here we formulate a strong-coupling approach to tackle the interplay of strong disorder and lattice deformations (phonons) in bulk three-dimensional metals at high temperatures. We identify a polaronic mechanism of strong disorder renormalization, which describes how a lattice locally responds to the relevant impurity potential. This mechanism, which quantitatively captures the Mooij regime, is physically distinct and unrelated to Anderson localization, but realizes early seminal ideas of Anderson himself, concerning the interplay of disorder and lattice deformations