No Arabic abstract
Being a flexible wide band gap semiconductor, hexagonal boron nitride (h-BN) has great potential for technological applications like efficient deep ultraviolet light sources, building block for two-dimensional heterostructures and room temperature single photon emitters in the ultraviolet and visible spectral range. To enable such applications, it is mandatory to reach a better understanding of the electronic and optical properties of h-BN and the impact of various structural defects. Despite the large efforts in the last years, aspects such as the electronic band gap value, the exciton binding energy and the effect of point defects remained elusive, particularly when considering a single monolayer. Here, we directly measured the density of states of a single monolayer of h-BN epitaxially grown on highly oriented pyrolytic graphite, by performing low temperature scanning tunneling microscopy (STM) and spectroscopy (STS). The observed h-BN electronic band gap on defect-free regions is $(6.8pm0.2)$ eV. Using optical spectroscopy to obtain the h-BN optical band gap, the exciton binding energy is determined as being of $(0.7pm0.2)$ eV. In addition, the locally excited cathodoluminescence and photoluminescence show complex spectra that are typically associated to intragap states related to carbon defects. Moreover, in some regions of the monolayer h-BN we identify, using STM, point defects which have intragap electronic levels around 2.0 eV below the Fermi level.
High mobility single and few-layer graphene sheets are in many ways attractive as nanoelectronic circuit hosts but lack energy gaps, which are essential to the operation of field-effect transistors. One of the methods used to create gaps in the spectrum of graphene systems is to form long period moire patterns by aligning the graphene and hexagonal boron nitride (h-BN) substrate lattices. Here, we use planar tunneling devices with thin h-BN barriers to obtain direct and accurate tunneling spectroscopy measurements of the energy gaps in single- and bi-layer graphene-h-BN superlattice structures at charge neutrality (first Dirac point) and at integer moire band occupancies (second Dirac point, SDP) as a function of external electric and magnetic fields and the interface twist angle. In single-layer graphene we find, in agreement with previous work, that gaps are formed at neutrality and at the hole-doped SDP, but not at the electron-doped SDP. Both primary and secondary gaps can be determined accurately by extrapolating Landau fan patterns to zero magnetic field and are as large as $simeq$ 17 meV for devices in near perfect alignment. For bilayer graphene, we find that gaps occur only at charge neutrality where they can be modified by an external electric field. Tunneling signatures of in-gap states around neutrality suggest the development of edge modes related to topologically non-trivial valley projected bands due to the combination of an external electric field and moire superlattice patterns.
We study the geometric and electronic structures of silicene monolayer using density functional theory based calculations. The electronic structures of silicene show that it is a semi-metal and the charge carriers in silicene behave like massless Dirac-Fermions since it possesses linear dispersion around Dirac point. Our results show that the band gap in silicene monolayer can be opened up at Fermi level due to an external electric field by breaking the inversion symmetry. The presence of buckling in geometric structure of silicene plays an important role in breaking the inversion symmetry. We also show that the band gap varies linearly with the strength of external electric field. Further, the value of band gap can be tuned over a wide range.
The dynamics of band-gap renormalization and gain build-up in monolayer MoTe$_2$ is investigated by evaluating the non-equilibrium Dirac-Bloch equations with the incoherent carrier-carrier and carrier-phonon scattering treated via quantum-Boltzmann type scattering equations. For the case where an approximately $300$ fs-long high intensity optical pulse generates charge-carrier densities in the gain regime, the strong Coulomb coupling leads to a relaxation of excited carriers on a few fs time scale. The pump-pulse generation of excited carriers induces a large band-gap renormalization during the time scale of the pulse. Efficient phonon coupling leads to a subsequent carrier thermalization within a few ps, which defines the time scale for the optical gain build-up energetically close to the low-density exciton resonance.
Monolayer 1T-WTe2 is a quantum spin Hall insulator with a gapped bulk and gapless helical edge states persisting to temperatures around 100 K. Recent studies have revealed a topological-to-trivial phase transition as well the emergence of an unconventional, potentially topological superconducting state upon tuning the carrier concentration with gating. However, despite extensive studies, the effects of gating on the band structure and the helical edge states have not yet been established. In this work we present a combined low-temperature STM and first principles study of back-gated monolayer 1T-WTe2 films grown on graphene. Consistent with a quantum spin Hall system, the films show well-defined bulk gaps and clear edge states that span the gap. By directly measuring the density of states with STM spectroscopy, we show that the bulk band gap magnitude shows substantial changes with applied gate voltage, which is contrary to the naive expectation that a gate would rigidly shift the bands relative to the Fermi level. To explain our data, we carry out density functional theory and model Hamiltonian calculations which show that a gate electric field causes doping and inversion symmetry breaking which polarizes and spin-splits the bulk bands. Interestingly, the calculated spin splitting from the effective Rashba-like spin-orbit coupling can be in the tens of meV for the electric fields in the experiment, which may be useful for spintronics applications. Our work reveals the strong effect of electric fields on the bulk band structure of monolayer 1T-WTe2, which will play a critical role in our understanding of gate-induced phenomena in this system.
The role of defects in van der Waals heterostructures made of graphene and hexagonal boron nitride (h-BN) is studied by a combination of ab initio and model calculations. Despite the weak van der Waals interaction between layers, defects residing in h-BN, such as carbon impurities and antisite defects, reveal a hybridization with graphene p$_{rm z}$ states, leading to midgap state formation. The induced midgap states modify the transport properties of graphene and can be reproduced by means of a simple effective tight-binding model. In contrast to carbon defects, it is found that oxygen defects do not strongly hybridize with graphenes low-energy states. Instead, oxygen drastically modifies the band gap of graphene, which emerges in a commensurate stacking on h-BN lattices.