Presentation Information
[9a-P04-17]Thickness Dependent Bandgap Modulation in Ga-Doped In2O3 A First Principles Study
〇(P)Chitra Pandy1 (1.Institute of Industrial Science, The University of Tokyo)
Keywords:
Nanosheet Oxide Semiconductor,Oxide Material Properties,Defect Study,ab initio simulations
We investigated the impact of Ga doping on the electronic structure of ultrathin In2O3 slabs (1–5 nm) for M3D oxide semiconductor applications. Using DFT calculations, we studied hydrogen-passivated slabs with In:Ga = 3:2. Undoped In2O3 showed expected bandgap widening due to quantum confinement, whereas Ga-doped slabs exhibited a reduced bandgap across all thicknesses. PDOS analysis indicated that Ga replaces delocalized In 5s states at the CBM with more localized Ga 4s orbitals, lowering conduction band dispersion. This leads to intrinsic bandgap narrowing and stabilization of the electron effective mass. These results offer insights for tailoring oxide semiconductors in M3D integration.