publication . Other literature type . Article . 2018

Defect phase diagram for doping of Ga 2 O 3

Stephan Lany;
Open Access
  • Published: 01 Apr 2018
  • Publisher: AIP Publishing
Abstract
For the case of n-type doping of β-Ga2O3 by group 14 dopants (C, Si, Ge, Sn), a defect phase diagram is constructed from defect equilibria calculated over a range of temperatures (T), O partial pressures (pO2), and dopant concentrations. The underlying defect levels and formation energies are determined from first-principles supercell calculations with GW bandgap corrections. Only Si is found to be a truly shallow donor, C is a deep DX-like (lattice relaxed donor) center, and Ge and Sn have defect levels close to the conduction band minimum. The thermodynamic modeling includes the effect of association of dopant-defect pairs and complexes, which causes the net d...
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free text keywords: Sublimation (phase transition), Band gap, Molecular physics, Materials science, Doping, Dopant, Germanium, chemistry.chemical_element, chemistry, Shallow donor, Wide-bandgap semiconductor, Phase diagram, lcsh:Biotechnology, lcsh:TP248.13-248.65, lcsh:Physics, lcsh:QC1-999
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