Publication

Effect of improved band-gap description in density functional theory on defect energy levels in alpha-quartz

Related publications (47)

About
Privacy
Disclaimer

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Effect of improved band-gap description in density functional theory on defect energy levels in alpha-quartz

Graph Chatbot

Chat with Graph Search

Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels

Tailoring band gaps of insulators by adsorption at surface defects: Benzoic acids on NaCl surfaces

First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si-SiO2-HfO2 stack

Li-related defects in ZnO : hybrid functional calculations

Defect levels of dangling bonds in silicon and germanium through hybrid functionals

Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations

Charge transition levels of the Ge dangling bond defect at Ge/insulator interfaces

Defect energy levels in density functional calculations: Alignment and band gap problem

Density-functional theory study of Au, Ag and Cu defects in germanium

Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys