Search Results - "Nunes, Ricardo W."
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Lattice Relaxation at the Interface of Two-Dimensional Crystals: Graphene and Hexagonal Boron-Nitride
Published in Nano letters (10-09-2014)“…Heteroepitaxy of two-dimensional (2D) crystals, such as hexagonal boron nitride (BN) on graphene (G), can occur at the edge of an existing heterointerface…”
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Topologically Protected Metallic States Induced by a One-Dimensional Extended Defect in the Bulk of a 2D Topological Insulator
Published in Nano letters (13-07-2016)“…We report ab initio calculations showing that a one-dimensional extended defect generates topologically protected metallic states immersed in the bulk of…”
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Origin of the Giant Enhanced Raman Scattering by Sulfur Chains Encapsulated inside Single-Wall Carbon Nanotubes
Published in ACS nano (25-05-2021)“…In this work, we explain the origin and the mechanism responsible for the strong enhancement of the Raman signal of sulfur chains encapsulated by single-wall…”
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Raman spectrum of layered jacutingaite (Pt2HgSe3) crystals—Experimental and theoretical study
Published in Journal of Raman spectroscopy (01-02-2020)“…Jacutingaite (Pt2HgSe3) is a recently discovered layered platinum‐group mineral. Recent experimental studies have shown that it displays the properties of a…”
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Temperature dependence of the double‐resonance Raman bands in monolayer MoS2
Published in Journal of Raman spectroscopy (01-12-2019)“…This work reports a detailed study of the double‐resonance (DR) Raman bands of single‐layer MoS2 as a function of temperature, using many different laser…”
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Ab initio investigations on the dislocation core properties in zinc-blende semiconductors
Published in Computational materials science (01-05-2004)“…Using total energy ab initio methods, we investigated the core properties of partial dislocations in GaAs. The calculations were based on the density…”
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Bistability, softening, and quenching of magnetic moments in Ni-filled carbon nanotubes
Published in Physical review. B, Condensed matter and materials physics (28-04-2010)Get full text
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Methodological reconstruction of dioctahedral 1:1 phyllosilicate polytypes
Published in Applied clay science (15-09-2017)“…The layered kaolin-group minerals are composed mainly by three polytypes: kaolinite, dickite and nacrite. The geometrical polytypic reconstruction of these…”
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Temperature dependence of the double‐resonance Raman bands in monolayer MoS 2
Published in Journal of Raman spectroscopy (01-12-2019)“…This work reports a detailed study of the double‐resonance (DR) Raman bands of single‐layer MoS 2 as a function of temperature, using many different laser…”
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Journal Article -
10
Group-IV Pentaoctite: A New 2D Material Family
Published 09-09-2024“…This study investigates the structural, mechanical, and electronic properties of novel two-dimensional (2D) pentaoctite (PO) monolayers composed of group-IV…”
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Bistability, softening, and quenching of magnetic moments in Ni-filled carbon nanotubes
Published 03-09-2010“…Physical Review B - Volume: 81 - Issue: 15 - Article Number: 153413, 2010 The authors apply first-principles calculations to investigate the interplay between…”
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Structures of Si and Ge nanowires in the sub-nanometer range
Published 25-08-2004“…We report an ab-initio investigation of several possible Si and Ge pristine nanowires with diameters between 0.5 and 1.2 nm. We considered nanowires based on…”
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Temperature effects on dislocation core energies in silicon and germanium
Published 20-09-2004“…Physical Review B vol 67, paper# 235201, 2003 Temperature effects on the energetics of the 90-degree partial dislocation in silicon and germanium are…”
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Stability of antiphase line defects in nanometer-sized boron-nitride cones
Published 20-09-2004“…We investigate the stability of boron nitride conical sheets of nanometer size, using first-principles calculations. Our results indicate that cones with an…”
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