Estudo de propriedades estruturais, eletrônicas e magnéticas de folhas de boro: (i) em interfaces MoSe2, WSe2 e SiO2-Amorfo; (ii) com adsorção de metais de transição

• Ano de defesa: 2020
• Autor(a) principal: Couto, Willian Reis Moura do
• Tipo de documento: Tese
• Tipo de acesso: Acesso aberto
• Idioma: por
• Instituição de defesa: Universidade Federal de Uberlândia; Brasil; Programa de Pós-graduação em Física
• Palavras-chave em Português: Teoria do funcional de densidade; Metais e semicondutores; Barreira de potencial; Metais de transição; Amorfo; Density functional theory; Metals and semiconductors; Potential barrier; Transition metals; Amorphous; Física; CNPQ::CIENCIAS EXATAS E DA TERRA::FISICA::FISICA DA MATERIA CONDENSADA::ESTRUTURAS ELETRONICAS E PROPRIEDADES ELETRICAS DE SUPERFICIES INTERFACES E PELICULAS
• Link de acesso: https://repositorio.ufu.br/handle/123456789/29148; http://doi.org/10.14393/ufu.te.2020.383

Graphene’s success sparked great interest in the development of new 2D materials. Thus, in recent years there has been rapid progress in the synthesis and characterization of two-dimensional (2D). This is because its various properties have potential applications in diverse technological devices. With that, we investigated in this work electronic, structural and magnetic properties of boron leaf monolayers, called borophen, and their interaction with several other systems. At first, it was studied the interaction of the borophene interface with M oSe 2 and W Se 2 monolayers called transition metal dicalcogenides (TMDC), thus establishing a metal-semiconductor contact. In this case, there is the formation of a potential barrier called the Schottky barrier. We show that such a barrier can be controlled by an external electric field. Then we investigate the magnetic properties that arise when adsorbing transition metals (F e, Co e M n) in vacancy sites on borophene. The formation of stable magnetic tracks is observed, with various types of coupling (ferromagnetic or antiferromagnetic) depending on the metal and the borophene phase. Finally, we also present a study of incorporation of H 2 O molecules on the borophene surface and also intercalated with an amorphous silicon dioxide substrate (a−SiO 2 ). Such interaction is important in the construction of different devices such as transistors. We show that bothborophen and a−SiO 2 have a hydrophobic character.