Publication

Finite-size supercell correction schemes for charged defect calculations

Related publications (38)

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.

Finite-size supercell correction schemes for charged defect calculations

Graph Chatbot

Chat with Graph Search

Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case

Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2 interface through hybrid functionals

Defect levels of carbon-related defects at the SiC/SiO2 interface from hybrid functionals

Accelerating GW calculations with optimal polarizability basis

Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term

Defect Formation in Ga-Catalyzed Silicon Nanowires

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

Vibrational contributions to the stability of point defects in bcc iron: A first-principles study

Optimization of Nanoelectronic Systems Reliability under Massive Defect Density Using Distributed R-Fold Modular Redundancy

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