Gradient polaritonic surface with space-variant switchable light-matter interactions in 2D moiré superlattices.

Polaritons in two-dimensional (2D) materials provide unique opportunities for controlling light at nanoscales. Tailoring these polaritons via gradient polaritonic surfaces with space-variant response can enable versatile light-matter interaction platforms with advanced functionalities. However, experimental progress has been hampered by the optical losses and poor light confinement of conventionally used artificial nanostructures.

Phonon-assisted Auger decay of excitons in doped transition metal dichalcogenide monolayers.

The competition between the radiative and nonradiative lifetimes determines the optical quantum yield and plays a crucial role in the potential optoelectronic applications of transition metal dichalcogenides (TMDCs). Here, we show that, in the presence of free carriers, an additional nonradiative decay channel opens for excitons in TMDC monolayers. Although the usual Auger decay channel is suppressed at low doping levels by the simultaneous momentum and energy conservation laws, exciton-phonon coupling relaxes this suppression.

Wetting and strain engineering of 2D materials on nanopatterned substrates.

The fascinating realm of strain engineering and wetting transitions in two-dimensional (2D) materials takes place when placed on a two-dimensional array of nanopillars or one-dimensional rectangular grated substrates. Our investigation encompasses a diverse set of atomically thin 2D materials, including transition metal dichalcogenides, hexagonal boron nitride, and graphene, with a keen focus on the impact of van der Waals adhesion energies to the substrate on the wetting/dewetting behavior on nanopatterned substrates. We find a critical aspect ratio of the nanopillar or grating heights to the period of the pattern when the wetting/dewetting transition occurs.

Erratum: Phonon-Mediated Interlayer Conductance in Twisted Graphene Bilayers [Phys. Rev. Lett. 109, 236604 (2012)].

This corrects the article DOI: 10.1103/PhysRevLett.109.

CsTiI (CsTiIBr) Halide Perovskite Solar Cell and Its Point Defect Analysis.

This work presents a comprehensive numerical study for designing a lead-free, all-inorganic, and high-performance solar cell based on CsTiI halide perovskite with all-inorganic carrier transport layers. A rigorous ab initio density-functional theory (DFT) calculation is performed to identify the electronic and optical properties of CsTiI and, upon extraction of the existing experimental data of the material, the cell is designed and optimized to the degree of practical feasibility. Consequently, a theoretical power conversion efficiency (PCE) of 21.

Metal Contact Induced Unconventional Field Effect in Metallic Carbon Nanotubes.

One-dimensional carbon nanotubes (CNTs) are promising for future nanoelectronics and optoelectronics, and an understanding of electrical contacts is essential for developing these technologies. Although significant efforts have been made in this direction, the quantitative behavior of electrical contacts remains poorly understood. Here, we investigate the effect of metal deformations on the gate voltage dependence of the conductance of metallic armchair and zigzag CNT field effect transistors (FETs).

Phonon-Assisted Intertube Electronic Transport in an Armchair Carbon Nanotube Film.

The electrical conductivity of a macroscopic assembly of nanomaterials is determined through a complex interplay of electronic transport within and between constituent nano-objects. Phonons play dual roles in this situation: their increased populations tend to reduce the conductivity via electron scattering, while they can boost the conductivity by assisting electrons to propagate through the potential-energy landscape. We identified a phonon-assisted coherent electron transport process between neighboring nanotubes in temperature-dependent conductivity measurements on a macroscopic film of armchair single-wall carbon nanotubes.

Tunable interlayer excitons and switchable interlayer trions via dynamic near-field cavity.

Emerging photo-induced excitonic processes in transition metal dichalcogenide (TMD) heterobilayers, e.g., interplay of intra- and inter-layer excitons and conversion of excitons to trions, allow new opportunities for ultrathin hybrid photonic devices.

Electrostatic and Environmental Control of the Trion Fine Structure in Transition Metal Dichalcogenide Monolayers.

Charged excitons or trions are essential for optical spectra in low-dimensional doped monolayers (ML) of transitional metal dichalcogenides (TMDC). Using a direct diagonalization of the three-body Hamiltonian, we calculate the low-lying trion states in four types of TMDC MLs as a function of doping and dielectric environment. We show that the fine structure of the trion is the result of the interplay between the spin-valley fine structure of the single-particle bands and the exchange interaction.

Phonon-Limited Mobility in h-BN Encapsulated AB-Stacked Bilayer Graphene.

The weak acoustic phonon scattering in graphene monolayer leads to high mobilities even at room temperatures. We identify the dominant role of the shear phonon mode scattering on the carrier mobility in AB-stacked graphene bilayer, which is absent in monolayer graphene. Using a microscopic tight-binding model, we reproduce experimental temperature dependence of mobilities in high-quality boron nitride encapsulated bilayer samples at temperatures up to ∼200  K.

Simulation of scanning near-field optical microscopy spectra of 1D plasmonic graphene junctions.

We present numerical simulations of scattering-type scanning near-field optical microscopy (s-SNOM) of 1D plasmonic graphene junctions. A comprehensive analysis of simulated s-SNOM spectra is performed for three types of junctions. We find conditions when the conventional interpretation of the plasmon reflection coefficients from s-SNOM measurements does not apply.

Dielectric Engineering Boosts the Efficiency of Carbon Nanotube Photodiodes.

Carbon nanotube (CNT) photodiodes are a promising system for high-efficiency photocurrent generation due to the strong Coulomb interactions that can drive carrier multiplication. If the Coulomb interactions are too strong, however, exciton formation can hamper photocurrent generation. Here, we explore, experimentally and theoretically, the effect of the environmental dielectric constant (ε) on the photocurrent generation process in CNTs.

Small Polarons in Two-Dimensional Pnictogens: A First-Principles Study.

We report the first-principles study of small polarons in the most stable two-dimensional pnictogen allotropes: blue and black phosphorene and arsenene. While both cations and anions of small hydrogen-passivated clusters show charge localization and local lattice distortions, only the hole polaron in the blue allotrope is stable in the infinite size cluster limit. The adiabatic polaron relaxation energy is found to be 0.

Two-Dimensional Cold Electron Transport for Steep-Slope Transistors.

Room-temperature Fermi-Dirac electron thermal excitation in conventional three-dimensional (3D) or two-dimensional (2D) semiconductors generates hot electrons with a relatively long thermal tail in energy distribution. These hot electrons set a fundamental obstacle known as the "Boltzmann tyranny" that limits the subthreshold swing (SS) and therefore the minimum power consumption of 3D and 2D field-effect transistors (FETs). Here, we investigated a graphene (Gr)-enabled cold electron injection where the Gr acts as the Dirac source to provide the cold electrons with a localized electron density distribution and a short thermal tail at room temperature.

Trion induced photoluminescence of a doped MoS monolayer.

We demonstrate that the temperature and doping dependencies of the photoluminescence (PL) spectra of a doped MoS monolayer have several peculiar characteristics defined by the trion radiative decay. While only zero-momentum exciton states are coupled to light, radiative recombination of non-zero momentum trions is also allowed. This leads to an asymmetric broadening of the trion spectral peak and redshift of the emitted light with increasing temperature.

Extremely Efficient Photocurrent Generation in Carbon Nanotube Photodiodes Enabled by a Strong Axial Electric Field.

Carbon nanotube (CNT) photodiodes have the potential to convert light into electrical current with high efficiency. However, previous experiments have revealed the photocurrent quantum yield (PCQY) to be well below 100%. In this work, we show that the axial electric field increases the PCQY of CNT photodiodes.

Photo-induced terahertz near-field dynamics of graphene/InAs heterostructures.

In this letter, we report optical pump terahertz (THz) near-field probe (n-OPTP) and optical pump THz near-field emission (n-OPTE) experiments of graphene/InAs heterostructures. Near-field imaging contrasts between graphene and InAs using these newly developed techniques as well as spectrally integrated THz nano-imaging (THz s-SNOM) are systematically studied. We demonstrate that in the near-field regime (λ/6000), a single layer of graphene is transparent to near-IR (800 nm) optical excitation and completely "screens" the photo-induced far-infrared (THz) dynamics in its substrate (InAs).

Band Structure and Contact Resistance of Carbon Nanotubes Deformed by a Metal Contact.

Capillary and van der Waals forces cause nanotubes to deform or even collapse under metal contacts. Using ab initio band structure calculations, we find that these deformations reduce the band gap by as much as 30%, while fully collapsed nanotubes become metallic. Moreover, degeneracy lifting due to the broken axial symmetry, and wave functions mismatch between the fully collapsed and the round portions of a CNT, lead to a 3 times higher contact resistance.

Thermal Light Emission from Monolayer MoS.

Layered transition metal dichalcogenide semiconductors, such as MoS and WSe , exhibit a range of fascinating properties and are being currently explored for a variety of electronic and optoelectronic devices. These properties include a low thermal conductivity and a large Seebeck coefficient, which make them promising for thermoelectric applications. Moreover, transition metal dichalcogenides undergo an indirect-to-direct bandgap transition when thinned down in thickness, leading to strong excitonic photo- and electroluminescence in monolayers.

Quantum efficiency and capture cross section of first and second excitonic transitions of single-walled carbon nanotubes measured through photoconductivity.

Comparing photoconductivity measurements, using p-n diodes formed along individual single-walled carbon nanotubes (SWNT), with modeling results, allows determination of the quantum efficiency, optical capture cross section, and oscillator strength of the first (E11) and second (E22) excitonic transitions of SWNTs. This is in the infrared region of the spectrum, where little experimental work on SWNT optical absorption has been reported to date. We estimate quantum efficiency (η) ~1-5% and provide a correlation of η, capture cross section, and oscillator strength for E11 and E22 with nanotube diameter.

Structure and electronic transport in graphene wrinkles.

Wrinkling is a ubiquitous phenomenon in two-dimensional membranes. In particular, in the large-scale growth of graphene on metallic substrates, high densities of wrinkles are commonly observed. Despite their prevalence and potential impact on large-scale graphene electronics, relatively little is known about their structural morphology and electronic properties.

Quantum behavior of graphene transistors near the scaling limit.

The superior intrinsic properties of graphene have been a key research focus for the past few years. However, external components, such as metallic contacts, serve not only as essential probing elements, but also give rise to an effective electron cavity, which can form the basis for new quantum devices. In previous studies, quantum interference effects were demonstrated in graphene heterojunctions formed by a top gate.

Low bias electron scattering in structure-identified single wall carbon nanotubes: role of substrate polar phonons.

We have performed temperature-dependent electrical transport measurements on known structure single wall carbon nanotubes at low bias. The experiments show a superlinear increase in nanotube resistivity with temperature, which is in contradiction with the linear dependence expected from nanotube acoustic-phonon scattering. The measured electron mean free path is also much lower than expected, especially at medium to high temperatures (>100  K).

The origins and limits of metal-graphene junction resistance.

A high-quality junction between graphene and metallic contacts is crucial in the creation of high-performance graphene transistors. In an ideal metal-graphene junction, the contact resistance is determined solely by the number of conduction modes in graphene. However, as yet, measurements of contact resistance have been inconsistent, and the factors that determine the contact resistance remain unclear.