Determination of III-V/Si absolute interface energies: impact on wetting properties - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Physical Review B Année : 2023

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

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.
Fichier principal
Vignette du fichier
Pedesseau et al for PRB_reply_without_highlighted_corrections.pdf (1003.51 Ko) Télécharger le fichier
Pedesseau et al for PRB_SM.pdf (920.58 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

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

Identifiants

Citer

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 (7), pp.075305. ⟨10.1103/PhysRevB.108.075305⟩. ⟨hal-04224894v2⟩
39 Consultations
29 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More