arXiv subjects

M. S. Bahramy

Publications and source records attributed to M. S. Bahramy.

At least 37 records · Page 2Linked to original sources

arXiv2020

Switching of band inversion and topological surface states by charge density wave

Topologically nontrivial materials host protected edge states associated with the bulk band inversion through the bulk-edge correspondence. Manipulating such edge states is highly desired for developing new functions and devices practically using their dissipation-less nature and spin-momentum locking. Here we introduce a transition-metal dichalcogenide VTe$_2$, that hosts a charge density wave (CDW) coupled with the band inversion involving V3$d$ and Te5$p$ orbitals. Spin- and angle-resolved photoemission spectroscopy with first-principles calculations reveal the huge anisotropic modification of the bulk electronic structure by the CDW formation, accompanying the selective disappearance of Dirac-type spin-polarized topological surface states that exist in the normal state. Thorough three dimensional investigation of bulk states indicates that the corresponding band inversion at the Brillouin zone boundary dissolves upon CDW formation, by transforming into anomalous flat bands. Our finding provides a new insight to the topological manipulation of matters by utilizing CDWs' flexible characters to external stimuli.

cond-mat.mtrl-sci↗

arXiv2019

Band Structure and Spin-Orbital Texture of the (111)-KTaO3 Two-Dimensional Electron Gas

Two-dimensional electron gases (2DEGs) in oxides show great potential for discovering new physical phenomena and at the same time hold promise for electronic applications. In this work we use angle resolved photoemission to determine the electronic structure of a 2DEG stabilized in the (111)-oriented surface of the strong spin orbit coupling material KTaO3. Our measurements reveal multiple sub-bands that emerge as a consequence of quantum confinement and form a six-fold symmetric Fermi surface. This electronic structure is well reproduced by self-consistent tight-binding supercell calculations. Based on these calculations we determine the spin and orbital texture of the 2DEG. We show that the 2DEG Fermi surface is derived from bulk J = 3/2 states and exhibits an unconventional anisotropic Rashba-like lifting of the spin-degeneracy. Spin-momentum locking holds only for high symmetry directions and a strong out-of-plane spin component renders the spin-texture three-fold symmetric. We find that the average spin-splitting on the Fermi surface is an order of magnitude larger than in SrTiO3, which should translate into an enhancement in the spin-orbitronic response of (111)-KTaO3 2DEG based devices.

cond-mat.mtrl-sci↗

arXiv2019

A general route to form topologically-protected surface and bulk Dirac fermions along high-symmetry lines

The band inversions that generate the topologically non-trivial band gaps of topological insulators and the isolated Dirac touching points of three-dimensional Dirac semimetals generally arise from the crossings of electronic states derived from different orbital manifolds. Recently, the concept of single orbital-manifold band inversions occurring along high-symmetry lines has been demonstrated, stabilising multiple bulk and surface Dirac fermions. Here, we discuss the underlying ingredients necessary to achieve such phases, and discuss their existence within the family of transition metal dichalcogenides. We show how their three-dimensional band structures naturally produce only small $k_z$ projected band gaps, and demonstrate how these play a significant role in shaping the surface electronic structure of these materials. We demonstrate, through spin- and angle-resolved photoemission and density functional theory calculations, how the surface electronic structures of the group-X TMDs PtSe$_2$ and PdTe$_2$ are host to up to five distinct surface states, each with complex band dispersions and spin textures. Finally, we discuss how the origin of several recently-realised instances of topological phenomena in systems outside of the TMDs, including the iron-based superconductors, can be understood as a consequence of the same underlying mechanism driving $k_z$-mediated band inversions in the TMDs.

cond-mat.mtrl-sci↗

arXiv2019

Dual quantum confinement and anisotropic spin splitting in the multi-valley semimetal PtSe$_2$

We investigate the electronic structure of a two-dimensional electron gas created at the surface of the multi-valley semimetal 1T-PtSe$_2$. Using angle-resolved photoemission and first-principles-based surface space charge calculations, we show how the induced quantum well subband states form multiple Fermi surfaces which exhibit highly anisotropic Rashba-like spin splittings. We further show how the presence of both electron- and hole-like bulk carriers causes the near-surface band bending potential to develop an unusual non-monotonic form, with spatially-segregated electron accumulation and hole accumulation regions, which in turn amplifies the induced spin splitting. Our results thus demonstrate the novel environment that semimetals provide for tailoring electrostatically-induced potential profiles and their corresponding quantum subband states

cond-mat.mtrl-sci↗

arXiv2019

Evolution of electronic states and emergence of superconductivity in the polar semiconductor GeTe by doping valence-skipping In

GeTe is a chemically simple IV-VI semiconductor which bears a rich plethora of different physical properties induced by doping and external stimuli. These include, among others, ferromagnetism, ferroelectricity, phase-change memory functionality, and comparably large thermoelectric figure of merits. Here we report a superconductor - semiconductor - superconductor transition controlled by finely-tuned In doping. Our results moreover show the existence of a critical doping concentration around $x = 0.12$ in Ge$_{1-x}$In$_{x}$Te, where various properties take either an extremum or change their characters: The structure changes from polarly-rhombohedral to cubic, the resistivity sharply increases by orders of magnitude, the type of charge carriers changes from holes to electrons, and the density of states diminishes at the dawn of an emerging superconducting phase. By core-level photoemission spectroscopy we find indications of a change in the In-valence state from In$^{3+}$ to In$^{1+}$ with increasing $x$, suggesting that this system is a new promising playground to probe valence fluctuations and their possible impact on superconductivity.

cond-mat.supr-con↗

arXiv2018

Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides

Transition-metal dichalcogenides (TMDs) are renowned for their rich and varied properties. They range from metals and superconductors to strongly spin-orbit-coupled semiconductors and charge-density-wave systems, with their single-layer variants one of the most prominent current examples of two-dimensional materials beyond graphene. Their varied ground states largely depend on the transition metal d-electron-derived electronic states, on which the vast majority of attention has been concentrated to date. Here, we focus on the chalcogen-derived states. From density-functional theory calculations together with spin- and angle- resolved photoemission, we find that these generically host type-II three-dimensional bulk Dirac fermions as well as ladders of topological surface states and surface resonances. We demonstrate how these naturally arise within a single p-orbital manifold as a general consequence of a trigonal crystal field, and as such can be expected across a large number of compounds. Already, we demonstrate their existence in six separate TMDs, opening routes to tune, and ultimately exploit, their topological physics.

cond-mat.mtrl-sci↗

arXiv2018

Observation of out-of-plane spin texture in a SrTiO3 (111) two-dimensional electron gas

We explore the second order bilinear magnetoelectric resistance (BMER) effect in the d-electron-based two-dimensional electron gas (2DEG) at the SrTiO3 (111) surface. We find an evidence of a spin-split band structure with the archetypal spin-momentum locking of the Rashba effect for the in-plane component. Under an out-of-plane magnetic field, we find a BMER signal that breaks the six-fold symmetry of the electronic dispersion, which is a fingerprint for the presence of a momentum dependent out-of-plane spin component. Relativistic electronic structure calculations reproduce this spin-texture and indicate that the out-of-plane component is a ubiquitous property of oxide 2DEGs arising from strong crystal field effects. We further show that the BMER response of the SrTiO3 (111) 2DEG is tunable and unexpectedly large.

cond-mat.mes-hall↗

arXiv2018

Fermiology and Superconductivity of Topological Surface States in PdTe$_2$

We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe$_2$ by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe$_2$ with its sister compound PtSe$_2$, we demonstrate how enhanced inter-layer hopping in the Te-based material drives a band inversion within the anti-bonding p-orbital manifold well above the Fermi level. We show how this mediates spin-polarised topological surface states which form rich multi-valley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

cond-mat.supr-con↗

arXiv2017

Spin-orbit coupling, minimal model and potential Cooper-pairing from repulsion in BiS$_2$-superconductors

We develop the realistic minimal electronic model for recently discovered BiS$_2$ superconductors including the spin-orbit coupling based on a first-principles band structure calculations. Due to strong spin-orbit coupling, characteristic for the Bi-based systems, the tight-binding low-energy model necessarily includes $p_x$, $p_y$, and $p_z$ orbitals. We analyze a potential Cooper-pairing instability from purely repulsive interaction for the moderate electronic correlations using the so-called leading angular harmonics approximation (LAHA). For small and intermediate doping concentrations we find the dominant instabilities to be $d_{x^2-y^2}$-wave, and $s_{\pm}$-wave symmetries, respectively. At the same time, in the absence of the sizable spin fluctuations the intra and interband Coulomb repulsion are of the same strength, which yields the strongly anisotropic behaviour of the superconducting gaps on the Fermi surface in agreement with recent ARPES findings. In addition, we find that the Fermi surface topology for BiS$_2$ layered systems at large electron doping can resembles the doped iron-based pnictide superconductors with electron and hole Fermi surfaces with sufficient nesting between them. This could provide further boost to increase $T_c$ in these systems.

cond-mat.supr-con↗

arXiv2017

Full-gap superconductivity in spin-polarized surface states of topological semimetal $β$-PdBi$_2$

A bulk superconductor possessing a topological surface state at the Fermi level is a promising system to realize long-sought topological superconductivity. Although several candidate materials have been proposed, experimental demonstrations concurrently exploring spin textures and superconductivity at the surface have remained elusive. Here we perform spectroscopic-imaging scanning tunnelling microscopy on the centrosymmetric superconductor $β$-PdBi$_2$ that hosts a topological surface state. By combining first-principles electronic-structure calculations and quasiparticle interference experiments, we determine the spin textures at the surface, and show not only the topological surface state but also all other surface bands exhibit spin polarizations parallel to the surface. We find that the superconducting gap fully opens in all the spin-polarized surface states. This behaviour is consistent with a possible spin-triplet order parameter expected for such in-plane spin textures, but the observed superconducting gap amplitude is comparable to that of the bulk, suggesting that the spin-singlet component is predominant in $β$-PdBi$_2$.

cond-mat.supr-con↗

arXiv2017

Critical enhancement of thermopower in a chemically tuned polar semimetal MoTe$_{\bf 2}$

Ferroelectrics with spontaneous electric polarization play an essential role in today's device engineering, such as capacitors and memories. Their physical properties are further enriched by suppressing the long-range polar order, as is exemplified by quantum paraelectrics with giant piezoelectric and dielectric responses at low temperatures. Likewise in metals, a polar lattice distortion has been theoretically predicted to give rise to various unusual physical properties. So far, however, a "ferroelectric"-like transition in metals has seldom been controlled and hence its possible impacts on transport phenomena remain unexplored. Here we report the discovery of anomalous enhancement of thermopower near the critical region between the polar and nonpolar metallic phases in 1T'-Mo$_{1-x}$Nb$_{x}$Te$_2$ with a chemically tunable polar transition. It is unveiled from the first-principles calculations and magnetotransport measurements that charge transport with strongly energy-dependent scattering rate critically evolves towards the boundary to the nonpolar phase, resulting in large cryogenic thermopower. Such a significant influence of the structural instability on transport phenomena might arise from the fluctuating or heterogeneous polar metallic states, which would pave a novel route to improving thermoelectric efficiency.

cond-mat.mtrl-sci↗

arXiv2017

Anticorrelation between polar lattice instability and superconductivity in the Weyl semimetal candidate MoTe2

The relation between the polar structural instability and superconductivity in a Weyl semimetal candidate MoTe2 has been clarified by finely controlled physical and chemical pressure. The physical pressure as well as the chemical pressure, i.e., the Se substitution for Te, enhances the superconducting transition temperature Tc at around the critical pressure where the polar structure transition disappears. From the heat capacity and thermopower measurements, we ascribe the significant enhancement of Tc at the critical pressure to a subtle modification of the phonon dispersion or the semimetallic band structure upon the polar-to-nonpolar transition. On the other hand, the physical pressure, which strongly reduces the interlayer distance, is more effective on the suppression of the polar structural transition and the enhancement of Tc as compared with the chemical pressure, which emphasizes the importance of the interlayer coupling on the structural and superconducting instability in MoTe2.

cond-mat.supr-con↗

arXiv2017

Observation of spin-polarized bands and domain-dependent Fermi arcs in polar Weyl semimetal MoTe$_2$

We investigate the surface electronic structures of polar 1T'-MoTe2, the Weyl semimetal candidate realized through the nonpolar-polar structural phase transition, by utilizing the laser angle-resolved photoemission spectroscopy (ARPES) combined with first-principles calculations. Two kinds of domains with different surface band dispersions are observed from a single-crystalline sample. The spin-resolved measurements further reveal that the spin polarizations of the surface and the bulk-derived states show the different domain-dependences, indicating the opposite bulk polarity. For both domains, some segment-like band features resembling the Fermi arcs are clearly observed. The patterns of the arcs present the marked contrast between the two domains, respectively agreeing well with the slab calculation of (0 0 1) and (0 0 -1) surfaces. The present result strongly suggests that the Fermi arc connects the identical pair of Weyl nodes on one side of the polar crystal surface, whereas it connects between the different pairs of Weyl nodes on the other side.

cond-mat.mtrl-sci↗

arXiv2016

Spin-valley locking in the normal state of a transition-metal dichalocogenide superconductor

The metallic transition-metal dichalcogenides (TMDCs) are benchmark systems for studying and controlling intertwined electronic orders in solids, with superconductivity developing upon cooling from a charge density wave state. The interplay between such phases is thought to play a critical role in the unconventional superconductivity of cuprates, Fe-based, and heavy-fermion systems, yet even for the more moderately-correlated TMDCs, their nature and origins have proved highly controversial. Here, we study a prototypical example, $2H$-NbSe$_2$, by spin- and angle-resolved photoemission and first-principles theory. We find that the normal state, from which its hallmark collective phases emerge, is characterised by quasiparticles whose spin is locked to their valley pseudospin. This results from a combination of strong spin-orbit interactions and local inversion symmetry breaking. Non-negligible interlayer coupling further drives a rich three-dimensional momentum-dependence of the underlying Fermi surface spin texture. Together, these findings necessitate a fundamental re-investigation of the nature of charge order and superconducting pairing in NbSe$_2$ and related TMDCs.

cond-mat.supr-con↗

arXiv2016

Absence of Giant Spin Splitting in the Two-Dimensional Electron Liquid at the Surface of SrTiO$_3$ (001)

We reinvestigate the putative giant spin splitting at the surface of SrTiO$_3$ reported by Santander-Syro $et~al.$ [Nature Mat. 13, 1085 (2014)]. Our spin- and angle-resolved photoemission experiments on (001) oriented surfaces supporting a two-dimensional electron liquid with high carrier density show no detectable spin polarization in the photocurrent. We demonstrate that this result excludes a giant spin splitting while it is fully consistent with the unconventional Rashba-like splitting seen in band structure calculations that reproduce the experimentally observed ladder of quantum confined subbands.

cond-mat.str-el↗

arXiv2016

Observation of Zeeman effect in topological surface state with distinct material dependence

The helical Dirac fermions on the surface of topological insulators host novel relativistic quantum phenomena in solids. Manipulating spins of topological surface state (TSS) represents an essential step towards exploring the theoretically predicted exotic states related to time reversal symmetry (TRS) breaking via magnetism or magnetic field. Understanding Zeeman effect of TSS and determining its g-factor are pivotal for such manipulations in the latter form of TRS breaking. Here, we report those direct experimental observations in Bi2Se3 and Sb2Te2Se by spectroscopic imaging scanning tunneling microscopy. The Zeeman shifting of zero mode Landau level is identified unambiguously by judiciously excluding the extrinsic influences associated with the non-linearity in the TSS band dispersion and the spatially varying potential. The g-factors of TSS in Bi2Se3 and Sb2Te2Se are determined to be 18 and -6, respectively. This remarkable material dependence opens a new route to control the spins in the TSS.

cond-mat.mes-hall↗

arXiv2014

Quasiparticle dynamics and spin-orbital texture of the SrTiO3 two-dimensional electron gas

Two-dimensional electron gases (2DEGs) in SrTiO$_3$ have become model systems for engineering emergent behaviour in complex transition metal oxides. Understanding the collective interactions that enable this, however, has thus far proved elusive. Here we demonstrate that angle-resolved photoemission can directly image the quasiparticle dynamics of the $d$-electron subband ladder of this complex-oxide 2DEG. Combined with realistic tight-binding supercell calculations, we uncover how quantum confinement and inversion symmetry breaking collectively tune the delicate interplay of charge, spin, orbital, and lattice degrees of freedom in this system. We reveal how they lead to pronounced orbital ordering, mediate an orbitally-enhanced Rashba splitting with complex subband-dependent spin-orbital textures and markedly change the character of electron-phonon coupling, co-operatively shaping the low-energy electronic structure of the 2DEG. Our results allow for a unified understanding of spectroscopic and transport measurements across different classes of SrTiO$_3$-based 2DEGs, and yield new microscopic insights on their functional properties.

cond-mat.str-el↗

arXiv2014

Direct observation of spin-polarised bulk bands in an inversion-symmetric semiconductor

Methods to generate spin-polarised electronic states in non-magnetic solids are strongly desired to enable all-electrical manipulation of electron spins for new quantum devices. This is generally accepted to require breaking global structural inversion symmetry. In contrast, here we present direct evidence from spin- and angle-resolved photoemission spectroscopy for a strong spin polarisation of bulk states in the centrosymmetric transition-metal dichalcogenide WSe$_2$. We show how this arises due to a lack of inversion symmetry in constituent structural units of the bulk crystal where the electronic states are localised, leading to enormous spin splittings up to $\sim\!0.5$ eV, with a spin texture that is strongly modulated in both real and momentum space. As well as providing the first experimental evidence for a recently-predicted `hidden' spin polarisation in inversion-symmetric materials, our study sheds new light on a putative spin-valley coupling in transition-metal dichalcogenides, of key importance for using these compounds in proposed valleytronic devices.

cond-mat.mtrl-sci↗