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Phosphorene oxides: bandgap engineering of phosphorene by oxidation
A. Ziletti, A. Carvalho, P. E. Trevisanutto +3
We show that oxidation of phosphorene can lead to the formation of a new family of planar (2D) and tubular (1D) oxides and sub-oxides, most of them insulating. This confers to blac…
Oxygen defects in phosphorene
A. Ziletti, A. Carvalho, D. K. Campbell +2
Oxygen, invariably present in a normal working environment, is a fundamental cause of the degradation of phosphorene. Using first-principles calculations, we show that for each oxy…
Phosphorene nanoribbons
A. Carvalho, A. S. Rodin, A. H. Castro Neto
Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of t…
Tunable optical properties of multilayers black phosphorus thin films
Tony Low, A. S. Rodin, A. Carvalho +4
Black phosphorus thin films might offer attractive alternatives to narrow gap compound semiconductors for optoelectronics across mid- to near-infrared frequencies. In this work, we…
Photocarrier relaxation in two-dimensional semiconductors
Daichi Kozawa, Rajeev Kumar, Alexandra Carvalho +8
Two-dimensional (2D) crystals of semiconducting transition metal dichalcogenides (TMD) absorb a large fraction of incident photons in the visible frequencies despite being atomical…
Strain-induced gap modification in black phosphorus
A. S. Rodin, A. Carvalho, A. H. Castro Neto
The band structure of single-layer black phosphorus and the effect of strain are predicted using density functional theory and tight-binding models. Having determined the localized…