Banca de QUALIFICAÇÃO: DAYVISON WEBER MAIA

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
DISCENTE: DAYVISON WEBER MAIA
DATA: 27/02/2024
HORA: 10:00
LOCAL: Presencial/Remota
TÍTULO: Electronic and magnetic properties of Me-Graphene nanoribbons: a DFT investigation
PALAVRAS-CHAVES: electronic structure, Me-Graphene nanoribbons, magnectic properties
PÁGINAS: 26
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
RESUMO:

In the search for semiconducting materials at the nanoscale, theoretical
methods have been used to propose a series of nanocarbon sheets featuring a mixture
of sp2 and sp3 hybridized carbon atoms, with Me-Graphene as one example. In addition
to interesting physical properties shown by these 2D forms, nanoribbon variations of
these structures can feature new properties. In this work, we show that the electronic
properties of Me-Graphene nanoribbons can be modulated through structural details
such as chirality, width, and edge details. Not only the metallic or semiconducting
behavior can be switched by choosing selected geometries, but the direct or indirect
character of the gap of the semiconducting cases can be triggered by selecting specific
chiralities. In particular combinations of chirality and edge structure, we further point out
that multiple spin-polarized states emerge, turning these systems into potential materials
for spintronics.

MEMBROS DA BANCA:
Presidente - 1548848 - EDUARDO COSTA GIRAO
Externo à Instituição - FABRÍCIO MORAIS DE VASCONCELOS - IFPI
Interno - 1340442 - RAMON SAMPAIO FERREIRA
Externo à Instituição - THAINÁ ARAÚJO DE OLIVEIRA - UFPI