Modern electronic and optoelectronic devices are approaching nanometric dimensions
where microscopic details cannot be treated in an effective way. Atomistic approaches …

The role of quantum confinement (QC) in Si and Ge nanostructures (NSs) including quantum
dots, quantum wires, and quantum wells is assessed under a wide variety of fabrication …

We develop a theory for investigating atomic-scale dielectric permittivity profiles across
interfaces between insulators. A local susceptibility χ (x; ω) is introduced to describe …

A recently developed theory of atomic-scale local dielectric permittivity has been used to
determine the position dependent permittivity profiles of a few nanoscale insulator surfaces …

We have constructed microscopic, structurally relaxed atomistic models of Si/SiO 2
superlattices. The structural distortion and oxidation-state characteristics of the interface Si …

Crystalline silicon single quantum wells QWs were fabricated by high-temperature thermal
oxidation of ELTRAN® Epitaxial Layer TRANsfer silicon-on-insulator SOI wafers. The Si …

First-principles computational methodologies are presented to study the impact of surfaces
and interfaces on the dielectric and electronic properties of emerging technologically …

We study the electronic structure and the dielectric permittivity of ultrathin oxide layers on Si
(100) substrates. By considering two different Si (100)–SiO2 interface models, we first show …

We investigate the dielectric permittivity of SiO2 on Si (100) substrates using a first-principles
approach. It is shown that both the static and high-frequency dielectric constants of the oxide …

In this paper, we present results of a comparative computational study of silicon oxide
interfaces with (100),(111), and (110) silicon surfaces. Density functional theory (DFT) in the …