High-pressure phases of group-IV, III–V, and II–VI compounds
Advances in the accuracy and efficiency of first-principles electronic structure calculations
have allowed detailed studies of the energetics of materials under high pressures. At the …
have allowed detailed studies of the energetics of materials under high pressures. At the …
Understanding resistance to amorphization by radiation damage
Decades of experimental and theoretical studies have brought some useful insights about
what defines resistance to amorphization by radiation damage; however, the problem is still …
what defines resistance to amorphization by radiation damage; however, the problem is still …
Spontaneous polarization and piezoelectric constants of III-V nitrides
The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-
V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to …
V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to …
Population analysis of plane-wave electronic structure calculations of bulk materials
Ab initio plane-wave electronic structure calculations are widely used in the study of bulk
materials. A technique for the projection of plane-wave states onto a localized basis set is …
materials. A technique for the projection of plane-wave states onto a localized basis set is …
[HTML][HTML] Method for estimating ionicities of oxides using O1s photoelectron spectra
LQ Wu, YC Li, SQ Li, ZZ Li, GD Tang, WH Qi, LC Xue… - AIP Advances, 2015 - pubs.aip.org
The average valence, V alO, of the oxygen anions in the perovskite oxide BaTiO 3, was
found using O1s photoelectron spectra to be− 1.55. This experimental result is close to the …
found using O1s photoelectron spectra to be− 1.55. This experimental result is close to the …
Band offsets of high K gate oxides on III-V semiconductors
III-V semiconductors have high mobility and will be used in field effect transistors with the
appropriate gate dielectric. The dielectrics must have band offsets over 1 eV to inhibit …
appropriate gate dielectric. The dielectrics must have band offsets over 1 eV to inhibit …
Optical and structural properties of III-V nitrides under pressure
NE Christensen, I Gorczyca - Physical Review B, 1994 - APS
Self-consistent linear muffin-tin-orbital band-structure calculations are used to investigate
the optical and structural properties of III-V semiconducting nitrides under hydrostatic …
the optical and structural properties of III-V semiconducting nitrides under hydrostatic …
[ספר][B] Physics and chemistry at oxide surfaces
C Noguera - 1996 - books.google.com
This book summarizes the present state of knowledge on the microscopic behavior of oxide
surfaces. It includes classical approaches, introduces the concept of ionicity, and describes …
surfaces. It includes classical approaches, introduces the concept of ionicity, and describes …
High-pressure Raman spectroscopy study of wurtzite ZnO
The high-pressure behavior of optical phonons in wurtzite zinc oxide (w− ZnO) is studied
using room-temperature Raman spectroscopy and ab initio calculations based on a plane …
using room-temperature Raman spectroscopy and ab initio calculations based on a plane …
Band offsets, Schottky barrier heights, and their effects on electronic devices
The authors review the band line-ups and band offsets between semiconductors, dielectrics,
and metals, including the theory, experimental data, and the chemical trends. Band offsets …
and metals, including the theory, experimental data, and the chemical trends. Band offsets …