Dresden 2026 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 48: Heterostructures, Interfaces and Surfaces: Fabrication and Structure
HL 48.2: Talk
Thursday, March 12, 2026, 15:15–15:30, POT/0251
Theoretical Exploration of the Electronic Structure at Group-III Nitride Interfaces — •Maximilian Lauer1,2, Christian Maas1,2, Jan M. Waack1,2, Michael Czerner1,2, and Christian Heiliger1,2 — 1Institut für theoretische Physik, Justus-Liebig-Universität Gießen, Germany — 2Zentrum für Materialforschung (ZfM), Justus-Liebig-Universität Gießen, Germany
Group-III nitrides are an essential group of materials at the forefront of modern optoelectronics. Recently, the metastable zincblende (In,Ga)N system emerged as a promising material for optoelectronic devices. Heterojunctions play a central role in device design, making a precise understanding of their electronic structure essential. Determining the band alignment at the interface is crucial for understanding its electronic properties.
Here, we show that the zb-GaN/zb-InN heterojunction exhibits a Type-I alignment with no states forming within the band gap at the interface. We performed KKR calculations with LDA-1/2 band gap corrections on coherently strained supercells. We report values for the band offset parameters and explore the microscopic electronic structure at the interface. Our calculations demonstrate the importance of band corrections for calculating electronic structure parameters, such as band offsets, and provide a basis for further investigations into the (Ga,In)N alloy system using the CPA.
Keywords: DFT; InGaN; group-III Nitrides; bandgap; CPA