Author:
Kawamura Fumio,Song Yelim,Murata Hidenobu,Tampo Hitoshi,Nagai Takehiko,Koida Takashi,Imura Masataka,Yamada Naoomi
Abstract
AbstractWe clarified that the bandgap of inorganic materials is strongly correlated with their effective coordination number (ECoN) via first-principles calculations and experimental confirmations. Tin mono-sulphide (Pnma) and germanium mono-sulphide (Pnma) were selected as model cases since these materials successively alter the ECoN as the cell volume changes and show an uncommon relationship between cell volume and bandgap. Contrary to the common semiconductors, the bandgaps of SnS (Pnma) and GeS (Pnma) have a positive relationship with respect to cell volume. This unique phenomenon was explained by incorporating the concept of ECoN into the theoretical studies. The theory proposed in this study is widely applicable to semiconductors with low-symmetry structures. Further, we experimentally demonstrated that the bandgap of SnS (Pnma) can be broadly tuned by changing the unit cell volume via alloying with alkali-earth (A.E.) metals, which could allow SnS to be applied to Si-based tandem photovoltaics. Alloying with A.E. elements also stabilised Cl as an n-type donor, which enabled n-type conduction in the bandgap-widened SnS film in the SnS-based semiconductors.
Funder
Japan Society for the Promotion of Science (JSPS) KAKENHI
Elemental Strategy Initiative of the Ministry of Education, Culture, Sports, Science, and Technology
Publisher
Springer Science and Business Media LLC
Cited by
8 articles.
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