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Stability and magnetism in complex multivacancy graphene systems
Ricardo Faccio, Alvaro W. Mombrú
This work is focused in the stability and magnetic properties of complex graphene multivacancy systems, studied by Density Functional Theory calculations. The removal of a sequence…
Stability of multivacancies in graphene
Ricardo Faccio, Alvaro W. Mombrú
The stability of graphene multivacancy systems is studied using Density Functional Theory (DFT) calculations. This work describes the evolution of the energy of formation per carbo…
Induced magnetism by single carbon vacancies in a three-dimensional graphitic network: a supercell study
Ricardo Faccio, Helena Pardo, Pablo A. Denis +4
We present an ab initio DFT study of the magnetic moments that arise in graphite by creating single carbon vacancies in a 3-D graphite network, using a full potential, all electron…
Ab initio study of the influence of adsorbed atoms on vacancy-induced magnetic moments in graphene sheets
Rodrigo Yoshikawa Oeiras, Marcos Veríssimo-Alves, Fernando M. Araújo-Moreira +3
We present ab initio calculations for single-atom vacancies in graphene. In agreement with earlier work, we find that vacancies are responsible for the magnetism recently observed…