Related papers: First-Principles Study on Leakage Current through …
Dangling bond wires on Si(001) are prototypical one dimensional wires, which are expected to show polaronic and solitonic effects. We present electronic structure calculations, using the tight binding model, of solitons in dangling-bond…
We develop a first-principles electron-transport simulator based on the Lippmann--Schwinger (LS) equation within the framework of the real-space finite-difference scheme. In our fully real-space based LS (grid LS) method, the ratio…
Nanoscale control of the quasi-two-dimensional electron gas at the LaAlO3/SrTiO3 (LAO/STO) interface by a conductive probe tip has triggered the development of a number of electronic devices. While the spatial distribution of the…
The structure property of non-ideal Si/GaAs heterostructures that were integrated with the ultra-thin oxide (UO) tunneling interfacial layer has been systematically investigated. Si nanomembranes (NMs) were oxidized in different time…
Emergent phases in the two-dimensional electron gas (2DEG) formed at the interface between two insulating oxides have attracted great attention in the past decade. We present ab-initio electronic structure calculations for the interface…
We study fluid flow at the interfaces between elastic solids with randomly rough, self-affine surfaces. We show by numerical simulation that elastic deformation lowers the relative contact area at which contact patches percolate in…
This study of highly accelerated lifetime tests of SrTiO$_3$, a model semiconducting oxide, is motivated by the interest in reliable multilayer ceramic capacitors and resistance-switching thin-film devices. Our analytical solution to…
Detailed understanding of solid-solid interface structure-function relations is critical for the improvement and wide deployment of all solid-state batteries. The interfaces between lithium phosphorous oxynitride ("LiPON") solid electrolyte…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
In nanometer scaled CMOS devices significant increase in the subthreshold, the gate and the reverse biased junction band-to-band-tunneling (BTBT) leakage, results in the large increase of total leakage power in a logic circuit. Leakage…
We develop a simple model to compute the energy-dependent decay factors of metal-induced gap states in metal/insulator interfaces considering the collective behaviour of all the bulk complex bands in the gap of the insulator. The agreement…
Amorphous insulating oxides play a significant role in the contemporary electronic industry. Understanding the band alignment of heterogeneous interfaces containing amorphous structures helps to better control the carrier transport property…
The quantum Ising chain of length, L, which is separated into two parts by localized or extended defects is considered at the critical point where scaling of the interface magnetization is non-universal. We measure the entanglement entropy…
The concentration of primary radiation induced defects has been previously estimated considering both the explicit mechanisms of the primary interaction between the incoming particle and the nuclei of the semiconductor lattice, and the…
Current-driven insulator-metal transitions are in many cases driven by Joule heating proportional to the square of the applied current. Recent nano-imaging experiments in Ca$_2$RuO$_4$ reveal a metal-insulator phase boundary that depends on…
The concept of duality has proved extremely powerful in extending our understanding in many areas of physics (1, 2). Charge-vortex duality has been proposed (3, 4) as a model to understand the superconductor to insulator transition (SIT) in…
A coarse grained description of a two phase fluid is used to study the steady state configuration of the interface separating the coexisting phases, and the motion of the contact line at which the interface intersects a solid boundary. The…
Novel solar cell materials consisting of Si nanoparticles embedded in SiO2 layers have been studied using positron annihilation spectroscopy in Doppler broadening mode, and photoluminescence. Two positron-trapping interface states are…
We report static and dynamic first-principles calculations that provide atomistic pictures of the initial stage of the oxidation processes occurring at the ($11\bar20$) surface of 4H-SiC. Our results unveil reaction pathways and their…
The polar interface between LaAlO$_{3}$ and SrTiO$_{3}$ has shown promise as a field effect transistor, with reduced (nanoscale) feature sizes and potentially added functionality over conventional semiconductor systems. However, the…