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Updated: May 23, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Bias dependent band alignment in Ga2O3 ferroelectric interface by operando HAXPES
Anthony Boucly1,2, Tyson C Back3, Thaddeus J Asel3
1SPEC, CEA, CNRS, , Université Paris-Saclay, CEA Saclay, Gif-sur-Yvette, 91191, France. anthony.boucly@sorbonne-universite.fr.
Abstract:
We present a fundamental study of the band alignment at the interface of HfZrO4 (HZO) with Ge-doped Ga2O3. Ge is an alternative n-type dopant for the wide band gap Ga2O3 due to its shallow donor level and favorable MBE growth conditions. In the perspective of using the ferroelectric polarization of hafnia based oxides, we have used a stack of HZO on highly Ge doped Ga2O3, the latter providing high carrier density. Electrical contacts were ensured by a TiN top electrode deposited on the HZO and an Au pad on the Ge:Ga2O3. The band alignment was measured by carrying out hard X-ray photoelectron spectroscopy (HAXPES) with in situ bias application across the HZO and following the evolution of both HZO and Ga2O3 energy level. Complementary high-resolution transmission electron microscopy (HRTEM) provided structural confirmation of the polar orthorhombic phase however electrical characterization showed that charge injection and trapping at the interface prevents stabilizing the ferroelectric polarization in HZO. The band alignment in the presence of a leaky HZO layer is therefore dominated by the bias induced band skewing.
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