Related papers: First-principles-based screening method for resist…
Previous efforts to directly write conductive metals have been narrowly focused on nanoparticle ink suspensions that require aggressive sintering (>200 {\deg}C) and result in low-density, small-grained agglomerates with electrical…
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single…
Thin-film transistors (TFTs) represent a wide-spread tool to determine the charge-carrier mobility of materials. Mobilities and further transistor parameters like contact resistances are commonly extracted from the electrical…
The conductivity tensor is introduced for the low-dimensional electron systems. Within the particle-in-a-box model and the diagonal response approximation, components of the conductivity tensor for a quasi-homogeneous ultrathin metal film…
Superconductivity or metallic state may coexist with density wave ordering at imperfect nesting of the Fermi surface. In addition to the macroscopic spatial phase separation, there are, at least, two possible microscopic structures of such…
Nanoelectronics requires the development of a priori technology evaluation for materials and device design that takes into account quantum physical effects and the explicit chemical nature at the atomic scale. Here, we present a…
We conduct comprehensive investigations of both thermal and electrical transport properties of SnSe and SnS using first-principles calculations combined with the Boltzmann transport theory. Due to the distinct layered lattice structure,…
Heat management is crucial in the design of nanoscale devices as the operating temperature determines their efficiency and lifetime. Past experimental and theoretical works exploring nanoscale heat transport in semiconductors addressed…
Recent discovery of new materials for thermoelectric energy conversion is enabled by efficient prediction of materials' performance from first-principles, without empirically fitted parameters. The novel simplified approach for computing…
We define a `hyperconductor' to be a material whose electrical and thermal DC conductivities are infinite at zero temperature and finite at any non-zero temperature. The low-temperature behavior of a hyperconductor is controlled by a…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
We study the resistivity scaling in nanometer-sized metallic wires due to surface roughness and grain-boundaries, currently the main cause of electron scattering in nanoscaled interconnects. The resistivity has been obtained with the…
By means of electronic transport, we study the transverse magnetic anisotropy of an individual Fe$_4$ single-molecule magnet (SMM) embedded in a three-terminal junction. In particular, we determine in situ the transverse anisotropy of the…
Transport measurements on thin films of NdNiO$_3$ reveal a crossover to a regime of pronounced nonlinear conduction below the well-known metal-insulator transition temperature. The evolution of the transport properties at temperatures well…
Scanning Probe Microscopy is used to study and quantify the nanoscale electric phenomena in the two classes of oxide systems, namely transport at electroactive grain boundaries and surface behavior of ferroelectric materials. Scanning…
The temperature dependent dc resistivity of the quasi-one-dimensional organic salts (TMTTF)2X ( X = PF6, AsF6, SbF6; BF4, ClO4, ReO4) has been measured in all three crystal directions in order to investigate anisotropy, localization…
It is shown within the weak-coupling model that the macroscopic superconducting anisotropy for materials with the gap varying on the Fermi surface cannot be characterized by a single number, unlike the case of clean materials with isotropic…
Many materials have anisotropic thermal conductivity, with diverse applications such as transistors, thermoelectrics, and laser gain media. Yet measuring the thermal conductivity tensor of such materials remains a challenge, particularly…
An ab initio Green's function study of the electron transport properties of the selected metal-porphyrin complexes has been performed. Transmission spectra and current-voltage dependence have been calculated for the porphyrin molecule…
Thermal transport in nanostructures plays a critical role in modern technologies. As devices shrink, techniques that can measure thermal properties at nanometer and nanosecond scales are increasingly needed to capture transient,…