We report ongoing work to assess electronic, structural, and vibrational properties of pure and In-substituted Ga2O3 using the density functional theory (DFT) in various versions. We obtain estimates of the gap as function of pressure and concentration of In, besides providing structural hints on the reasons of the difficult In miscibility in Ga2O3.
Structure, electronics and vibrations in Ga2O3, (Ga1-xInx)2O3, and interfaces
MACCIONI, MARIA BARBARA;FIORENTINI, VINCENZO
2014-01-01
Abstract
We report ongoing work to assess electronic, structural, and vibrational properties of pure and In-substituted Ga2O3 using the density functional theory (DFT) in various versions. We obtain estimates of the gap as function of pressure and concentration of In, besides providing structural hints on the reasons of the difficult In miscibility in Ga2O3.
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