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Article Dans Une Revue Physical Review B Année : 2023

Determination of III-V/Si absolute interface energies: Impact on wetting properties

I Lucci
  • Fonction : Auteur
D Gupta
C Cornet

Résumé

Here, we quantitatively determine the impact of III-V/Si interface atomic configuration on the wetting properties of the system. Based on a description at the atomic scale using density functional theory, we first show that it is possible to determine the absolute interface energies in heterogeneous materials systems. A large variety of absolute GaP surface energies and GaP/Si interface energies are then computed, confirming the large stability of charge-compensated III-V/Si interfaces with an energy as low as 23 meV/Å 2. While stable compensated III-V/Si interfaces are expected to promote complete wetting conditions, it is found that this can be easily counterbalanced by the substrate initial passivation, which favors partial wetting conditions.
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Dates et versions

hal-04224894 , version 2 (02-10-2023)
hal-04224894 , version 1 (31-01-2024)

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S Pallikkara Chandrasekharan, I Lucci, D Gupta, C Cornet, L Pedesseau. Determination of III-V/Si absolute interface energies: Impact on wetting properties. Physical Review B, 2023, 108, ⟨10.1103/physrevb.108.075305⟩. ⟨hal-04224894v1⟩
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