Calculations of geometries (XANES…), electronic levels, formation/binding/migration energies (equilibrium defect concentration, thermal diffusion coefficients), alignmnent of electronic levels, recovery of band gap in III-V semiconductors after hydrogenation
CASE STUDIES
- Amore Bonapasta A., Filippone F., Mattioli G.
Phys. Rev. Lett. 2007, 98, 206403
- Pettinari G., Filippone F., Polimeni A., Mattioli G., Patane’ A., Lebedev V., Capizzi M., Amore Bonapasta A.
Adv. Funct. Materials, 2015, 25, 5353
- Filippone F., Mattioli G., Amore Bonapasta A.
Phys. Rev. Materials, 2017, 1, 064606
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