arXiv subjects

Kristen Kaasbjerg

Publications and source records attributed to Kristen Kaasbjerg.

At least 19 recordsLinked to original sources

arXiv2023

Transport Study of Charge Carrier Scattering in Monolayer WSe$_2$

Employing flux-grown single crystal WSe$_2$, we report charge carrier scattering behaviors measured in $h$-BN encapsulated monolayer field effect transistors. We perform quantum transport measurements across various hole densities and temperatures and observe a non-monotonic change of transport mobility $μ$ as a function of hole density in the degenerately doped sample. This unusual behavior can be explained by energy dependent scattering amplitude of strong defects calculated using the T-matrix approximation. Utilizing long mean-free path ($>$500 nm), we demonstrate the high quality of our electronic devices by showing quantized conductance steps from an electrostatically-defined quantum point contact. Our results show the potential for creating ultra-high quality quantum optoelectronic devices based on atomically thin semiconductors.

cond-mat.mes-hall↗

arXiv2020

Atomistic $T$-matrix theory of disordered 2D materials: Bound states, spectral properties, quasiparticle scattering, and transport

In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The method is based on the $T$-matrix formalism in combination with realistic density-functional theory (DFT) descriptions of the defects and their scattering matrix elements. From the $T$-matrix approximations to the disorder-averaged Green's function (GF) and the collision integral in the Boltzmann transport equation, the method allows calculations of, e.g., the density of states (DOS) including contributions from bound defect states, the quasiparticle spectrum and the spectral linewidth (scattering rate), and the conductivity/mobility of disordered 2D materials. We demonstrate the method by examining these quantities in monolayers of the archetypal 2D materials graphene and transition metal dichalcogenides (TMDs) contaminated with vacancy defects and substitutional impurity atoms. By comparing the Born and $T$-matrix approximations, we also demonstrate a strong breakdown of the Born approximation for defects in 2D materials manifested in a pronounced renormalization of, e.g., the scattering rate by the higher-order $T$-matrix method. As the $T$-matrix approximation is essentially exact for dilute disorder, i.e., low defect concentrations ($c_\text{dis} \ll 1$) or density ($n_\text{dis}\ll A_\text{cell}^{-1}$ where $A_\text{cell}$ is the unit cell area), our first-principles method provides an excellent framework for modeling the properties of disordered 2D materials with defect concentrations relevant for devices.

cond-mat.mes-hall↗

arXiv2019

Signatures of adatom effects in the quasiparticle spectrum of Li-doped graphene

We study the spectral function and quasiparticle scattering in Li-decorated graphene (Li@graphene) with an atomistic $T$-matrix formalism and uncover adatom-induced spectral effects which shed light on experimentally observed angle-resolved photoemission spectroscopy (ARPES) features. From transport studies, alkali adatoms are known to introduce charged-impurity scattering limiting the carrier mobility. Here, we demonstrate that Li adatoms furthermore give rise to a low-energy impurity band centered at the $Γ$ point which originates from the hybridization between the atomic 2s state of the Li adatoms and graphene "surface" states. We show that the impurity band is strongly dependent on the concentration $c_\mathrm{Li}$ of Li adatoms, and aligns with the Li-induced Fermi level on the Dirac cone at $c_\mathrm{Li}\sim 8\,\%$ ($E_F\approx 1.1\,\mathrm{eV}$). Finally, we show that adatom-induced quasiparticle scattering increases dramatically at energies above $\sim 1\,\mathrm{eV}$ close to the van Hove singularity in the graphene density of states (DOS), giving rise to a large linewidth broadening on the Dirac cone with a concomitant downshift and a characteristic kink in the conduction band. Our findings are highly relevant for future studies of ARPES, transport, and superconductivity in adatom-doped graphene.

cond-mat.mtrl-sci↗

arXiv2019

Weak localization measurements of electronic scattering rates in Li-doped epitaxial graphene

Early experiments on alkali-doped graphene demonstrated that the dopant adatoms modify the conductivity of graphene significantly, as extra carriers enhance conductivity while Coulomb scattering off the adatoms suppresses it. However, conductivity probes the overall scattering rate, so a dominant channel associated with long-range Coulomb scattering will mask weaker short-range channels. We present weak localization measurements of epitaxial graphene with lithium adatoms that separately quantify intra- and intervalley scattering rates, then compare the measurements to tight-binding calculations of expected rates for this system. The intravalley rate is strongly enhanced by Li deposition, consistent with Coulomb scattering off the Li adatoms. A simultaneous enhancement of intervalley scattering is partially explained by extra carriers in the graphene interacting with residual disorder. But differences between measured and calculated rates at high Li coverage may indicate adatom-induced modifications to the band structure that go beyond the applied model. Similar adatom-induced modifications of the graphene bands have recently been observed in ARPES, but a full theoretical understanding of these effects is still in development.

cond-mat.mes-hall↗

arXiv2019

Tunable valley Hall effect in gate-defined graphene superlattices

We theoretically investigate gate-defined graphene superlattices with broken inversion symmetry as a platform for realizing tunable valley dependent transport. Our analysis is motivated by recent experiments [C. Forsythe et al., Nat. Nanotechnol. 13, 566 (2018)] wherein gate-tunable superlattice potentials have been induced on graphene by nanostructuring a dielectric in the graphene/patterneddielectric/gate structure. We demonstrate how the electronic tight-binding structure of the superlattice system resembles a gapped Dirac model with associated valley dependent transport using an unfolding procedure. In this manner we obtain the valley Hall conductivities from the Berry curvature distribution in the superlattice Brillouin zone, and demonstrate the tunability of this conductivity by the superlattice potential. Finally, we calculate the valley Hall angle relating the transverse valley current and longitudinal charge current and demonstrate the robustness of the valley currents against irregularities in the patterned dielectric.

cond-mat.mes-hall↗

arXiv2019

Electron and hole transport in disordered monolayer MoS2: atomic vacancy-induced short-range and Coulomb disorder scattering

Atomic disorder is a common limiting factor for the low-temperature mobility in monolayer transition-metal dichalcogenides (TMDs; MX2). Here, we study the effect of often occurring atomic vacancies on carrier scattering and transport in p- and n-type monolayer MoS2. Due to charge trapping in vacancy-induced in-gap states, both neutral and charged vacancies resembling, respectively, short-range and combined short-range and long-range Coulomb scatterers, must be considered. Using the T-matrix formalism, we demonstrate a strong renormalization of the Born description of short-range scattering, manifested in a pronounced reduction and a characteristic energy dependence of the scattering rate. As a consequence, carrier scattering in TMDs with charged vacancies is dominated by the long-range Coulomb-disorder scattering, giving rise to a strong screening-induced temperature and density dependence of the low-temperature carrier mobility. For TMDs with neutral vacancies, the absence of intrinsic Coulomb disorder results in significantly higher mobilities as well as an unusual density dependence of the mobility which decreases with the carrier density. Our work illuminates the transport-limiting effects of atomic-vacancy scattering relevant for high-mobility TMD devices.

cond-mat.mes-hall↗

arXiv2019

Fluctuation-driven Coulomb drag in interacting quantum dot systems

Coulomb drag between nanoscale conductors is of both fundamental and practical interest. Here, we theoretically study drag in a double quantum-dot (QD) system consisting of a biased drive QD and an unbiased drag QD coupled via a direct interdot Coulomb interaction. We demonstrate that the Coulomb drag is driven by the charge fluctuations in the drive QD, and show how the properties of the associated quantum noise allow to distinguish it from, e.g., shot-noise driven drag in circuits of weakly interacting quantum conductors. In the strong-interaction regime exhibiting an orbital ("pseudospin") Kondo effect, the drag is governed by charge fluctuations induced by pseudospin-flip cotunneling processes. The quenching of pseudospin-flip processes by Kondo correlations are found to suppress the drag at low bias and introduce a zero-bias anomaly in the second-order differential transconductance. Finally, we show that the drag is maximized for values of the interdot interaction matching the lead couplings. Our findings are relevant for the understanding of drag in QD systems and provide experimentally testable predictions in different transport regimes.

cond-mat.mes-hall↗

arXiv2018

Enhanced interlayer neutral excitons and trions in trilayer van der Waals heterostructures

Vertically stacked van der Waals heterostructures constitute a promising platform for providing tailored band alignment with enhanced excitonic systems. Here we report observations of neutral and charged interlayer excitons in trilayer WSe2-MoSe2-WSe2 van der Waals heterostructures and their dynamics. The addition of a WSe2 layer in the trilayer leads to significantly higher photoluminescence quantum yields and tunable spectral resonance compared to its bilayer heterostructures at cryogenic temperatures. The observed enhancement in the photoluminescence quantum yield is due to significantly larger electron-hole overlap and higher light absorbance in the trilayer heterostructure, supported via first-principle pseudopotential calculations based on spin-polarized density functional theory. We further uncover the temperature- and power-dependence, as well as time-resolved photoluminescence of the trilayer heterostructure interlayer neutral excitons and trions. Our study elucidates the prospects of manipulating light emission from interlayer excitons and designing atomic heterostructures from first-principles for optoelectronics.

cond-mat.mes-hall↗

arXiv2018

Quantum Coherent Multielectron Processes in an Atomic Scale Contact

The light emission from a scanning tunneling microscope operated on a Ag(111) surface at 6 K is analyzed from low conductances to values approaching the conductance quantum. Optical spectra recorded at a sample voltages V reveal emission with photon energies hv> 2eV. A model of electrons interacting coherently via a localized plasmon-polariton mode reproduces the experimental data, in particular the kinks in the spectra at eV and 2eV as well as the scaling of the intensity at low and intermediate conductances.

cond-mat.mes-hall↗

arXiv2018

Symmetry-forbidden intervalley scattering by atomic defects in monolayer transition-metal dichalcogenides

Intervalley scattering by atomic defects in monolayer transition metal dichalcogenides (TDMs; MX2) presents a serious obstacle for applications exploiting their unique valley-contrasting properties. Here, we show that the symmetry of the atomic defects can give rise to an unconventional protection mechanism against intervalley scattering in monolayer TMDs. The predicted defect-dependent selection rules for intervalley scattering can be verified via Fourier transform scanning tunneling spectroscopy (FT-STS), and provide a unique identification of, e.g., atomic vacancy defects (M vs X). Our findings put the absence of the intervalley FT-STS peak in recent experiments in a different perspective.

cond-mat.mes-hall↗

arXiv2017

Thermoelectrics in Coulomb-coupled quantum dots: Cotunneling and energy-dependent lead couplings

We study thermoelectric effects in Coulomb-coupled quantum-dot (CCQD) systems beyond lowest-order tunneling processes and the often applied wide-band approximation. To this end, we present a master-equation (ME) approach based on a perturbative $T$-matrix calculation of the charge and heat tunneling rates and transport currents. Applying the method to transport through a non-interacting single-level QD, we demonstrate excellent agreement with the Landauer-B{ü}ttiker theory when higher-order (cotunneling) processes are included in the ME. Next, we study the effect of cotunneling and energy-dependent lead couplings on the heat currents in a system of two Coulomb-coupled QDs. Overall, we find that cotunneling processes (i) dominate the heat currents at low temperature and bias, and (ii) give rise to a pronounced reduction of the cooling power achievable with the recently demonstrated Maxwell's demon cooling mechanism. Furthermore, we demonstrate that the cooling power can be boosted significantly by carefully engineering the energy dependence of the lead couplings to filter out undesired transport processes. Our findings emphasize the importance of considering higher-order cotunneling processes as well as the advantage of engineered energy-dependent lead couplings in the optimization of the thermoelectric performance of Coulomb-coupled QD systems.

cond-mat.mes-hall↗

arXiv2017

Flexural phonon scattering induced by electrostatic gating in graphene

Graphene has an extremely high carrier mobility partly due to its planar mirror symmetry inhibiting scattering by the highly occupied acoustic flexural phonons. Electrostatic gating of a graphene device can break the planar mirror symmetry yielding a coupling mechanism to the flexural phonons. We examine the effect of the gate-induced one-phonon scattering on the mobility for several gate geometries and dielectric environments using first-principles calculations based on density functional theory (DFT) and the Boltzmann equation. We demonstrate that this scattering mechanism can be a mobility-limiting factor, and show how the carrier density and temperature scaling of the mobility depends on the electrostatic environment. Our findings may explain the high deformation potential for in-plane acoustic phonons extracted from experiments and furthermore suggest a direct relation between device symmetry and resulting mobility.

cond-mat.mes-hall↗

arXiv2016

Electron Attraction Mediated by Coulomb Repulsion

One of the defining properties of electrons is their mutual Coulombic repulsion. In solids, however, this basic property may change. A famous example is that of superconductors, where coupling to lattice vibrations make electrons attract each other and leads to the formation of bound pairs. But what if all degrees of freedom are electronic? Is it still possible to make electrons attractive via their repulsion from other electrons? Such a mechanism, termed 'excitonic', was proposed fifty years ago by W. A. Little, aiming to achieve stronger and more exotic superconductivity, yet despite many experimental efforts, direct evidence for such 'excitonic' attraction is still lacking. Here, we demonstrate this unique attraction by constructing, from the bottom up, the fundamental building block of this mechanism. Our experiments are based on quantum devices made from pristine carbon nanotubes, combined with cryogenic precision manipulation. Using this platform we demonstrate that two electrons can be made to attract using an independent electronic system as the binding glue. Owing to its large tunability, our system offers crucial insights into the underlying physics, such as the dependence of the emergent attraction on the underlying repulsion and the origin of the pairing energy. We also demonstrate transport signatures of 'excitonic' pairing. This experimental demonstration of 'excitonic' pairing paves the way for the design of exotic states of matter.

cond-mat.mes-hall↗

arXiv2016

Correlated Coulomb drag in capacitively coupled quantum-dot structures

We study theoretically Coulomb drag in capacitively coupled quantum dots (CQDs) -- a biasdriven dot coupled to an unbiased dot where transport is due to Coulomb mediated energy transfer drag. To this end, we introduce a master-equation approach which accounts for higher-order tunneling (cotunneling) processes as well as energy-dependent lead couplings, and identify a mesoscopic Coulomb drag mechanism driven by nonlocal multi-electron cotunneling processes. Our theory establishes the conditions for a nonzero drag as well as the direction of the drag current in terms of microscopic system parameters. Interestingly, the direction of the drag current is not determined by the drive current, but by an interplay between the energy-dependent lead couplings. Studying the drag mechanism in a graphene-based CQD heterostructure, we show that the predictions of our theory are consistent with recent experiments on Coulomb drag in CQD systems.

cond-mat.mes-hall↗

arXiv2015

Full counting statistics and shot noise of cotunneling in quantum dots and single-molecule transistors

We develop a conceptually simple scheme based on a master-equation approach to evaluate the full-counting statistics (FCS) of elastic and inelastic off-resonant tunneling (cotunneling) in quantum dots (QDs) and molecules. We demonstrate the method by showing that it reproduces known results for the FCS and shot noise in the cotunneling regime. For a QD with an excited state, we obtain an analytic expression for the cumulant generating function (CGF) taking into account elastic and inelastic cotunneling. From the CGF we find that the shot noise above the inelastic threshold in the cotunneling regime is inherently super-Poissonian when external relaxation is weak. Furthermore, a complete picture of the shot noise across the different transport regimes is given. In the case where the excited state is a blocking state, strongly enhanced shot noise is predicted both in the resonant and cotunneling regimes.

cond-mat.mes-hall↗

arXiv2015

Theory of light emission from quantum noise in plasmonic contacts: above-threshold emission from higher-order electron-plasmon scattering

We develop a theoretical framework for the description of light emission from plasmonic contacts based on the nonequilibrium Green function formalism. Our theory establishes a fundamental link between the finite-frequency quantum noise and AC conductance of the contact and the light emission. Calculating the quantum noise to higher orders in the electron-plasmon interaction, we identify a plasmon-induced electron-electron interaction as the source of experimentally observed above-threshold light emission from biased STM contacts. Our findings provide important insight into the effect of interactions on the light emission from atomic-scale contacts.

cond-mat.mes-hall↗

arXiv2014

Hot-electron cooling by acoustic and optical phonons in monolayers of MoS$_2$ and other transition-metal dichalcogenides

We study hot-electron cooling by acoustic and optical phonons in monolayer MoS$_2$. The cooling power $P$ ($P_e = P/n$) is investigated as a function of electron temperature $T_e$ (0-500 $\mathrm{K}$) and carrier density $n$ ($10^{10}$-$10^{13}$ $\mathrm{cm}^{-2}$) taking into account all relevant electron-phonon (el-ph) couplings. We find that the cross over from acoustic phonon dominated cooling at low $T_e$ to optical phonon dominated cooling at higher $T_e$ takes place at $T_e \sim 50$-$75$ $\mathrm{K}$. The unscreened deformation potential (DP) coupling to the TA phonon is shown to dominate $P$ due to acoustic phonon scattering over the entire temperature and density range considered. The cooling power due to screened DP coupling to the LA phonon and screened piezoelectric (PE) coupling to the TA and LA phonons is orders of magnitude lower. In the Bloch-Grüneisen (BG) regime, $P\sim T_e^4$ ($T_e^6$) and $P\sim n^{-1/2}$ ($P_e\sim n^{-3/2}$) are predicted for unscreened (screened) el-ph interaction. The cooling power due to optical phonons is dominated by zero-order DP couplings and the Fröhlich interaction, and is found to be significantly reduced by the hot-phonon effect when the phonon relaxation time due to phonon-phonon scattering is large compared to the relaxation time due to el-ph scattering. The $T_e$ and $n$ dependence of the hot-phonon distribution function is also studied. Our results for monolayer MoS$_2$ are compared with those in conventional two-dimensional electron gases (2DEGs) as well as monolayer and bilayer graphene.

cond-mat.mes-hall↗

arXiv2013

Charge-carrier-induced frequency renormalization, damping and heating of vibrational modes in nanoscale junctions

In nanoscale junctions the interaction between charge carriers and the local vibrations results in renormalization, damping and heating of the vibrational modes. We here formulate a nonequilibrium Green's functions based theory to describe such effects. Studying a generic junction model with an off-resonant electronic level, we find a strong bias dependence of the frequency renormalization and vibrational damping accompanied by pronounced nonlinear vibrational heating in junctions with intermediate values of the coupling to the leads. Combining our theory with ab-initio calculations we furthermore show that the bias dependence of the Raman shifts and linewidths observed experimentally in an OPV3 junction [D. Ward et al., Nature Nano. 6, 33 (2011)] may be explained by a combination of dynamic carrier screening and molecular charging.

cond-mat.mes-hall↗