Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation

• Published in: Physical chemistry chemical physics : PCCP Vol. 18; no. 19; pp. 13294 - 13303
• Main Authors: Noda, Yusuke, Ohno, Kaoru, Nakamura, Shinichiro
• Format: Journal Article
• Language: English
• Published: England 11.05.2016

Recently, manganese-oxide compounds have attracted considerable attention, in particular, as candidate materials for photochemical water-splitting reactions. Here, we investigate electronic states of pristine manganese dioxides (MnO2) in different crystal phases using spin-polarized density function...