… of various defects such as tail states, midgap states, and interface states, as well as their …
as "interface states" those D states which are located in the high gap state density regions in …

… surface-state distribution over the whole gap (6). In our model, the surface states may exchange
… work is based upon experimental data such as surfacestate capacitance C~(V), surface-…

… scale is achieved by use of interface potentials that are obtained from raw molecular simulation
data. Starting from a microscopic description of a fluid’s interface on a flat substrate, we …

… experimental interface state density profiles generated during hot-carrier stress with simulation
results … The simulation framework includes a transport module, a module describing the …

… herent interfaces and … -interface calculations provide higher resolution than the alternative
procedure of projecting local densities of states at hollow site, bridge site, and on-top interface …

… simulation to study interaction and bonding mechanisms of metal/oxide interfaces include
density of states (… DOS includes partial density of states (PDOS) and local density of states (…

… at material interfaces, particularly with respect to the simulation of … at the interface are important
for device simulation, how to … cause for interface states are impurities at the interface. If for …

… To characterize the state of the interface we introduce a measure of coherency sensitive
to the atomic relaxations near the interface. In the final part of the paper, we analyze the …

… The other important issue addressed by our simulation is the way in which the water
interface affects the crystal and surface electronic states in the metal slab. It was shown that the …

… of the possibilities offered by ab initio simulation in the area of solid state chemistry, physics,
… who is not acquainted with solid state simulation an introductory overview. For consistency …