Hydrides as materials for semiconductor electronics

Abstract

Systematic studies using density functional theory have shown that some hydrides possess the features of semiconductors. These features include larger fundamental band gap, well dispersed bottom-most conduction band and/or top-most valence band, small electron/hole effective masses and small intrinsic carrier concentration. It is demonstrated that depending upon the composition, hydrides possess a wide range of band gap values and hence they can be regarded as materials for narrow to wide band gap semiconducting applications. The possibility of designing hydride-based p–n junctions, and also their advantages as well as deficiencies compared to existing oxide semiconductors, are discussed. Replacing oxide-based semiconductors by hydrides can help to avoid problems such as formation of an oxide layer, band offsets, large concentration of defect states at the interface between the oxide and semiconductor, etc. Moreover, hydrides can be regarded as an alternative to conventional semiconductors and hence can be used in future-generation electronic devices called “hydride electronics”.