HAL Id: hal-03796786 https://hal.laas.fr/hal-03796786 Submitted on 4 Oct 2022 HAL is a multi-disciplinary open access archive for the deposit and dissemination of sci- entifc research documents, whether they are pub- lished or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la difusion de documents scientifques de niveau recherche, publiés ou non, émanant des établissements d’enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. First-principles investigation of CuO decomposition and its transformation into Cu 2 O Hicham Jabraoui, Mehdi Djafari Rouhani, Carole Rossi, Alain Estève To cite this version: Hicham Jabraoui, Mehdi Djafari Rouhani, Carole Rossi, Alain Estève. First-principles investigation of CuO decomposition and its transformation into Cu 2 O. Physical Review Materials, 2022, 6 (9), pp.096001. 10.1103/PhysRevMaterials.6.096001. hal-03796786