相关论文: Band gap reconstruction at the interface between b…
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…
In this work, we report numerical simulations and experiments of the optical response of a gold nanostrip embedded in a silicon strip waveguide gap at telecom wavelengths. We show that the spectral features observed in transmission and…
We develop a microscopic theory for the point-contact conductance between a metalic electrode and a strongly correlated material using the non-equilibrium Schwinger-Kadanoff-Baym-Keldysh formalism. We explicitly show that in the classical…
We describe a technique for connecting a nanometer-scale gold grain to leads by atomic-scale gold point contacts. These devices differ from previous metallic quantum dots in that the conducting channels are relatively well-transmitting. We…
High quality electrical contact to semiconducting transition metal dichalcogenides (TMDCs) such as $MoS_2$ is key to unlocking their unique electronic and optoelectronic properties for fundamental research and device applications. Despite…
Black phosphorous is a layered material having a high capacity of 2596 mAh/g as a battery electrode, however it suffers from cracking due to high volume expansion during lithiation. These cracks causes loss of electrical contact in the…
Van der Waals (vdW) materials offer new ways to assemble artificial electronic media with properties controlled at the design stage, by combining atomically defined layers into interfaces and heterostructures. Their potential for…
The strong electron-electron interaction in transition metal dichalcogenides (TMDs) gives rise to phenomena such as strong exciton and trion binding and excitonic condensation, as well as large negative exchange and correlation…
We perform electrical transport measurements in graphene with several sample geometries. In particular, we design ``invasive'' probes crossing the whole graphene sheet as well as ``external'' probes connected through graphene side arms. The…
Using first principles calculations, this work investigates the suitability of diamond/c-BN heterojunctions for high frequency, high power device applications. The key quantities of band offsets and interface charge polarization are…
Quantitative description of charge transport across tunneling and break-junction devices with novel superconductors encounters some problems not present, or not as severe for traditional superconducting materials. In this work, we explain…
We present a novel implementation of the first-principles approach to molecular charge transport using the non-equilibrium Green's function formalism in combination with the ADF/BAND periodic band-structure DFT code, together with results…
We solve the coherent multiple Andreev reflection (MAR) problem and calculate current-voltage characteristics (IVCs) for Josephson SINIS junctions, where S are local-equilibrium superconducting reservoirs, I denotes tunnel barriers, and N…
Electrical conductance through various nanocontacts between gold electrodes is studied by using the density functional theory, scalar-relativistic pseudopotentials, generalized gradient approximation for the exchange-correlation energy and…
Black phosphorus (BP) has recently emerged as an alternative 2D semiconductor owing to its fascinating electronic properties such as tunable bandgap and high charge carrier mobility. The structural investigation of few-layer BP, such as…
In oxide heterostructures, different materials are integrated into a single artificial crystal, resulting in a breaking of inversion-symmetry across the heterointerfaces. A notable example is the interface between polar and non-polar…
Controlling the bandgap through local-strain engineering is an exciting avenue for tailoring optoelectronic materials. Two-dimensional crystals are particularly suited for this purpose because they can withstand unprecedented…
Atomically thin layered black phosphorous (BP) has recently appeared as an alternative to the transitional metal di chalcogenides for future channel material in a MOS transistor due to its lower carrier effective mass. Investigation of the…
Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…