Work

Valence Band Modulation Using Cationic Filled p Orbitals toward p-Type Conduction

Year: 2025

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide p-Type conduction is difficult in wide-gap compound semiconductors, such as transparent oxides. Anionic p orbitals primarily constituting the valence band maximum (VBM) are localized owing to their highly electronegative nature, which gives rise to a large ionization potential (Ip), leading to a difficulty in hole doping into the VBM. Here, we report a new approach to VBM modulation through the covalent interaction with filled cationic p orbitals. LaN is taken as an example. Pushing the anionic valence band (VB) to VBM by σ interaction in N–La chains between the N 2p VB and the filled La p orbitals decreases Ip and enhances the dispersion of VBM, leading to a direct-type band gap. Cationic p states (La 5p 6 ) located energetically near the VB and linear coordination of La–N chains present in rock-salt-type crystal structures are keys to making the N p–La p covalent interaction strong.

Source: Crystal Growth & Design

DOI: 10.1021/acs.cgd.5c00012

Authors: Hiroshi Mizoguchi, Satoru Matsuishi, Hiroyo Segawa, Noriko Saito, Hideo Hosono

Institutions: National Institute for Materials Science, Institute of Science Tokyo

Language: English

Topic: GaN-based semiconductor devices and materials

Subfield: Condensed Matter Physics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,500

Funder: Japan Society for the Promotion of Science