Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userImpact of intrinsic and extrinsic imperfections on the electronic and optical properties of MoS2
206
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
Intrinsic and extrinsic disorder from lattice imperfections, substrate and environment has a strong effect on the local electronic structure and hence the optical properties of atomically thin transition metal dichalcogenides that are determined by strong Coulomb interaction. Here, we examine the role of the substrate material and intrinsic defects in monolayer MoS2 crystals on SiO2 and hBN substrates using a combination of scanning tunneling spectroscopy, scanning tunneling microscopy, optical absorbance, and low-temperature photoluminescence measurements. We find that the different substrates significantly impact the optical properties and the local density of states near the conduction band edge observed in tunneling spectra. While the SiO2 substrates induce a large background doping with electrons and a substantial amount of band tail states near the conduction band edge of MoS2, such states as well as the high doping density are absent using high quality hBN substrates. By accounting for the substrate effects we obtain a quasiparticle gap that is in excellent agreement with optical absorbance spectra and we deduce an exciton binding energy of about 480 meV. We identify several intrinsic lattice defects that are ubiquitious in MoS2, but we find that on hBN substrates the impact of these defects appears to be passivated. We conclude that the choice of substrate controls both the effects of intrinsic defects and extrinsic disorder, and thus the electronic and optical properties of MoS2. The correlation of substrate induced disorder and defects on the electronic and optical properties of MoS2 contributes to an in-depth understanding of the role of the substrates on the performance of 2D materials and will help to further improve the properties of 2D materials based quantum nanosystems.
rate research
Read More
For semiconductors used in photovoltaic devices, the effective mass approximation allows calculation of important material properties from first-principles calculations, including optical properties (e.g. exciton binding energies), defect properties (e.g. donor and acceptor levels) and transport properties (e.g. carrier mobilities). The conduction and valence bands of semiconductors are commonly approximated as parabolic around their extrema, which gives a simple theoretical description, but ignores the complexity of real materials. In this work, we use density functional theory to assess the impact of band non-parabolicity on four common thin-film photovoltaic materials - GaAs, CdTe, Cu$_2$ZnSnS$_4$ and CH$_3$NH$_3$PbI$_3$ - at temperatures and carrier densities relevant for real-world applications. First, we calculate the effective mass at the band edges. We compare finite-difference, unweighted least-squares and thermally weighted least-squares approaches. We find that the thermally weighted least-squares method reduces sensitivity to the choice of sampling density. Second, we employ a Kane quasi-linear dispersion to quantify the extent of non-parabolicity, and compare results from different electronic structure theories to consider the effect of spin-orbit coupling and electron exchange. Finally, we focus on the halide perovskite CH$_3$NH$_3$PbI$_3$ as a model system to assess the impact of non-parabolicity on calculated electron transport and optical properties at high carrier concentrations. We find that at a concentration of 10$^{20}$ cm$^-3$ the optical effective mass increases by a factor of two relative to the low carrier-concentration value, and the polaron mobility decreases by a factor of three. Our work suggests that similar adjustments should be made to the predicted optical and transport properties of other semiconductors with significant band non-parabolicity.
The linear dispersion relation in graphene[1,2] gives rise to a surprising prediction: the resistivity due to isotropic scatterers (e.g. white-noise disorder[3] or phonons[4-8]) is independent of carrier density n. Here we show that acoustic phonon scattering[4-6] is indeed independent of n, and places an intrinsic limit on the resistivity in graphene of only 30 Ohm at room temperature (RT). At a technologically-relevant carrier density of 10^12 cm^-2, the mean free path for electron-acoustic phonon scattering is >2 microns, and the intrinsic mobility limit is 2x10^5 cm^2/Vs, exceeding the highest known inorganic semiconductor (InSb, ~7.7x10^4 cm^2/Vs[9]) and semiconducting carbon nanotubes (~1x10^5 cm^2/Vs[10]). We also show that extrinsic scattering by surface phonons of the SiO2 substrate[11,12] adds a strong temperature dependent resistivity above ~200 K[8], limiting the RT mobility to ~4x10^4 cm^2/Vs, pointing out the importance of substrate choice for graphene devices[13].
Combined in-situ x-ray photoemission spectroscopy, scanning tunnelling spectroscopy and angle resolved photoemission spectroscopy of molecular beam epitaxy grown Bi2Te3 on lattice mismatched substrates reveal high quality stoichiometric thin films with topological surface states without a contribution from the bulk bands at the Fermi energy. The absence of bulk states at the Fermi energy is achieved without counter doping. We observe that the surface morphology and electronic band structure of Bi2Te3 are not affected by in-vacuo storage and exposure to oxygen, whereas major changes are observed when exposed to ambient conditions. These films help define a pathway towards intrinsic topological devices.
The origin of the resistivity minimum observed in strongly phase separated manganites has been investigated in single crystalline thin films of LPCMO (x~0.42, y~0.40). The antiferromagnetic/charge ordered insulator (AFM/COI)-ferromagnetic metal (FMM) phase transition, coupled with the colossal hysteresis between the field cool cooled and field cooled warming magnetization demonstrates strongly phase separated nature, which gives rise to non-equilibrium magnetic liquid state that freezes into a magnetic glass. The thermal cycling and magnetic field dependence of the resistivity unambiguously shows that the pronounced resistivity minimum observed during warming is a consequence non-equilibrium states resulting from the magnetic frustration created by the delicate coexistence of the FMM and AFM/COI phases. The non-equilibrium states and hence the resistivity minimum is extremely sensitive to the relative fraction of the coexisting phases and can be tuned by intrinsic and extrinsic perturbations like the defect density, thermal cycling and magnetic field.
The electronic and optical properties of the cleavage InAs(110) surface are studied using a semi-empirical tight-binding method which employs an extended atomic-like basis set. We describe and discuss the electronic character of the surface electronic states and we compare with other theoretical approaches, and with experimental observations. We calculate the surface electronic band structure and the Reflectance Anisotropy Spectrum, which are described and discussed in terms of the surface electronic states and the atomic structure.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
