Finite-size supercell correction schemes for charged defect calculations

By H. Komsa, T. Rantala, Alfredo Pasquarello. 2012

328 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/8c026b6dc8cb373dfd80edd49fa0a4862d829052