second-principle; lattice potential for CaTiO3; fully atomistic
Disciplines :
Physics
Author, co-author :
Schmittt, Michael Marcus
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux ; Université de Liège - ULiège > Complex and Entangled Systems from Atoms to Materials (CESAM)
Language :
English
Title :
Fully atomistic second-principles effective lattice potential for CaTiO3