Manipulation of ferromagnetism in intrinsic two-dimensional magnetic and nonmagnetic materials

Z Lei, CI Sathish, X Geng, X Guan, Y Liu, L Wang… - Matter, 2022 - cell.com
Summary 2D ferromagnetic materials have been regarded as the promising candidates for
the next-generation spintronics in the field of future information science and technology. In …

Unveiling the electronic properties of BiP3 triphosphide from bulk to graphene-based heterostructures by first-principles calculations

ISS de Oliveira, EN Lima, RH Miwa, D Pacine - Applied Surface Science, 2024 - Elsevier
In our study, we investigated the structural and electronic properties of bismuth triphosphide
(BiP 3) in its bulk, few-layer, and monolayer forms. We found that BiP 3 in bulk exhibits a …

Tuning the electronic transport properties in few-layers GeP3 intercalated by Cr-atoms

ISS de Oliveira, DPA Deus, WL Scopel… - Physica E: Low …, 2022 - Elsevier
We use first-principles simulations to investigate the electronic transport properties in 2D
systems intercalated by foreign atoms. In the present work, we have considered GeP 3 …

Magnetic anisotropy energies and metal-insulator transitions in monolayers of and on graphene

PH Souza, DPA Deus, WH Brito, RH Miwa - Physical Review B, 2022 - APS
Transition metal (TM) trichlorides, with 4 d or 5 d electrons, are materials at the forefront of
recent studies about the interplay of spin-orbit coupling (SOC) and strong Coulomb …

Unveiling the electronic properties of BiP triphosphide from bulk to heterostructures by first principles calculations

DP Deus, ISS de Oliveira, RH Miwa… - arXiv preprint arXiv …, 2023 - arxiv.org
Triphosphides, with a chemical formula of XP $ _3 $(X is a group IIIA, IVA, or VA element),
have recently attracted much attention due to their great potential in several applications …

Oxidation of two-dimensional electrides: Structural transition and the formation of half-metallic channels protected by oxide layers

PH Souza, D Kuritza, JE Padilha, RH Miwa - Physical Review B, 2022 - APS
Based on first-principles calculations, we performed a systematic study of the energetic
stability, structural characterization, and electronic properties of the fully oxidized A 2 B …

Simulação computacional aplicada à sistemas 2D: tricloretos de metais de transição em grafeno e funcionalização de eletrenos

PH Souza - 2022 - repositorio.ufu.br
A descoberta do grafeno impulsionou o estudo de materiais 2D, tendo em vista que estes
materiais possuem uma vasta aplicabilidade no desenvolvimento de nanodispositivos. Isso …