Related papers: Significant reduction in semiconductor interface r…
The application of two-dimensional (2D) semiconductors, such as monolayer MoS2, is limited by the high contact resistance commonly attributed to interfacial barriers at metal contacts. Furthermore, the dependence of electrical conductivity…
Interfacial thermal transport is a critical bottleneck in nanoscale systems, where heat dissipation and energy efficiency are strongly modulated by molecular ordering at solid-liquid boundaries. Here, using atomistic simulations of…
We consider the transmission problem in presence of interfaces with imperfect bonding. The imperfect bonding condition is characterized by the positive resistance along the interface, which causes discontinuity of the potential across the…
A rough interface seems to be one of the possible reasons for low channel mobility (conductivity) in SiC MOSFETs. To evaluate the mobility by interface roughness, we drew a boundary line between amorphous insulator and crystalline 4H-SiC in…
A multiscale simulation approach is developed to simulate the contact transport properties between semimetal to a monolayer two-dimensional (2D) transition metal dichalcogenide (TMDC) semiconductor. The results elucidate the mechanisms for…
Thermal welding of polymer-polymer interfaces is important for integrating polymeric elements into devices. When two different polymers are joined, the strength of the weld depends critically on the degree of immiscibility. We perform…
In semiconductor superlattices, when Bragg oscillating electrons interact with an input electromagnetic field, frequency multiplication is possible. An ideal superlattice has a purely antisymmetric voltage current response and can thus…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
We study the thermal conductance across solid-solid interfaces as the composition of an intermediate matching layer is varied. In absence of phonon-phonon interactions, an added layer can make the interfacial conductance increase or…
We study energy transport in a system of two dimensional conformal field theories exchanging energy across a non-conformal interface involving a localised scalar operator, using holographic duality. By imposing the sourceless boundary…
The mechanism determining the band alignment of the amorphous/crystalline Si heterostructures is addressed with direct atomistic simulations of the interface performed using a hierarchical combination of various computational schemes…
The symmetry of exchange interaction of charge carriers in semiconductor nanostructures (quantum wells and quantum dots) is analysed. It is shown that the exchange Hamiltonian of two particles belonging to the same energy band can be…
The performance of nanoscale electronic devices based on a two-three dimensional (2D-3D) interface is significantly affected by the electrical contacts that interconnect these materials with external circuitry. This work investigates charge…
Light absorption at the boundary of indirect-band-gap and direct-forbidden gap semiconductors is analyzed. It is found that the possibility of the electron momentum nonconservation at the interface leads to essential enhancement of…
Abstract. The present work considers a change in the momentum under the transfer of a solution through the interface. It is shown that pressure related to the partial volumes of components arises in a solution under diffusion. As a result,…
Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…
We investigate the origin of asymmetry in various measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry, with particular focus on a recent break junction measurement. We argue that such asymmetry…
The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly developed "modified basin-hopping" method. It is found that all…
We present the evidence of the low defect density at Ge/GeO$_2$ interfaces in terms of first-principles total energy calculations. The energy advantages of the atom emission from the Ge/GeO$_2$ interface to release the stress due to the…
The high lattice mismatched SiC/Si(001) interface was investigated by means of combined classical and ab initio molecular dynamics. Among the several configurations analyzed, a dislocation network pinned at the interface was found to be the…