35 citations · 153 across the 13 of their papers we have counts for
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An atomic scale study of Si-doped AlAs by cross-sectional scanning tunneling microscopy and density functional theory
D. Tjeertes, A. Vela, T. J. F. Verstijnen +6
Silicon (Si) donors in GaAs have been the topic of extensive studies since Si is the most common and well understood n-type dopant in III-V semiconductor devices and substrates. Th…
Layer breathing and shear modes in multilayer graphene: A DFT-vdW study
Rafael R. Del Grande, Marcos G. Menezes, Rodrigo B. Capaz
In this work, we study structural and vibrational properties of multilayer graphene using density-functional theory (DFT) with van der Waals (vdW) functionals. Initially, we analyz…
Tight Binding Parametrization of Few-layer Black Phosphorus from First-Principles Calculations
Marcos G. Menezes, Rodrigo B. Capaz
We employ a tight-binding parametrization based on the Slater Koster model in order to fit the band structures of single-layer, bilayer and bulk black phosphorus obtained from firs…
Donors in Ge as Qubits: Establishing Physical Attributes
A. Baena, A. L. Saraiva, Marcos G. Menezes +1
Quantum electronic devices at the single impurity level demand an understanding of the physical attributes of dopants at an unprecedented accuracy. Germanium-based technologies hav…
Ab initio quasiparticle bandstructure of ABA and ABC-stacked graphene trilayers
Marcos G. Menezes, Rodrigo B. Capaz, Steven G. Louie
We obtain the quasiparticle band structure of ABA and ABC-stacked graphene trilayers through ab initio density functional theory (DFT) and many-body quasiparticle calculations with…
Half-metallicity induced by charge injection in hexagonal boron nitride clusters embedded in graphene
Marcos G. Menezes, Rodrigo B. Capaz
We study the electronic structure and magnetic properties of h-BN triangular clusters embedded in graphene supercells. We find that, depending on the sizes of the clusters and the…