Blar i NTNU Open på forfatter "Spaldin, Nicola A"
-
Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO3
Griffin, Sinead M; Reidulff, Mari; Selbach, Sverre Magnus; Spaldin, Nicola A (Journal article, 2017)The effect of defect chemistry on the polar and nonpolar phases of hexagonal InMnO3 is investigated using first-principles density functional calculations. Our motivation is to show how point defects and substitutional ... -
Oxygen vacancies in the bulk and at neutral domain walls in hexagonal YMnO3
Skjærvø, Sandra Helen; Småbråten, Didrik Rene; Spaldin, Nicola A; Tybell, Per Thomas Martin; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2018)We use density functional calculations to investigate the accommodation and migration of oxygen vacancies in bulk hexagonal YMnO3, and to study interactions between neutral ferroelectric domain walls and oxygen vacancies. ...