90 citations · 263 across the 17 of their papers we have counts for
17 papers
Molecular Dynamics Study of Defect Evolution Mechanisms in 3C-SiC for Quantum Technologies
Irslan Ullah Ashraf, Gaetano Calogero, Ioannis Deretzis +4
The migration of point defects and formation of spin defects in 3C-SiC were investigated using molecular dynamics simulations, with migration barriers obtained from Nudged Elastic…
First-Principles Investigation of Surface-Induced Effects on the Properties of Divacancy Qubits in 3C-SiC
Rosario G. Viglione, Giovanni Castorina, Gaetano Calogero +4
Neutral silicon-carbon divacancy (VV) in cubic silicon carbide (3C-SiC) is a promising class of point defects for quantum technologies based on active crystalline cent…
Quantum transport in nitrogen-doped nanoporous graphenes
Gaetano Calogero, Isaac Alcón, Alan E. Anaya Morales +6
Bottom-up on-surface synthesized nanoporous graphenes (NPGs), realized as 2D arrays of laterally covalently bonded -conjugated graphene nanoribbons (GNRs), are a family of carbo…
Tailoring nuclear spins order with defects: a Quantum Technology CAD study
Gaetano Calogero, Ioannis Deretzis, Giuseppe Fisicaro +3
The full design of relevant systems for quantum applications, ranging from quantum simulation to sensing, is presented using a combination of atomistic methods. A prototypical syst…
Robust quantum engineering of current flow in carbon nanostructures at room temperature
Gaetano Calogero, Isaac Alcón, Onurcan Kaya +4
Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. Good examples are graphene nanoribbons (GNRs), 1D conjugated polymers, and na…
Laser Annealed SiO2/Si1-xGex Scaffolds for Nanoscaled Devices, Synergy of Experiment and Computation
Damiano Ricciarelli, Jonas Müller, Guilhem Larrieu +11
Ultraviolet nanosecond laser annealing (UV-NLA) proves to be an important technique, particularly when tightly controlled heating and melting are necessary. In the realm of semicon…
Local Coordination Modulates the Reflectivity of Liquefied Si-Ge Alloys
Damiano Ricciarelli, Ioannis Deretzis, Gaetano Calogero +3
The properties of liquid Si-Ge binary systems at melting conditions deviate from those expected by the ideal alloy approximation. Particularly, a non-linear dependence of the diele…
Atomistic insights into ultrafast SiGe nanoprocessing
Gaetano Calogero, Domenica Raciti, Damiano Ricciarelli +9
Controlling ultrafast material transformations with atomic precision is essential for future nanotechnology. Pulsed laser annealing (LA), inducing extremely rapid and localized pha…
Impact of surface reflectivity on the ultra-fast laser melting of silicon-germanium alloys
Damiano Ricciarelli, Giovanni Mannino, Ioannis Deretzis +10
Ultraviolet nanosecond laser annealing (LA) is a powerful tool where strongly confined heating and melting are desirable. In semiconductor technologies the importance of LA increas…
A Ballistic Two-Dimensional Lateral Heterojunction Bipolar Transistor
Leonardo Lucchesi, Gaetano Calogero, Gianluca Fiori +1
We propose and investigate the intrinsically thinnest transistor concept: a monolayer ballistic heterojunction bipolar transistor based on a lateral heterostructure of transition m…
Quantum interference engineering of nanoporous graphene for carbon nanocircuitry
Gaetano Calogero, Isaac Alcón, Nick Papior +2
Bottom-up prepared carbon nanostructures appear as promising platforms for future carbon-based nanoelectronics, due to their atomically precise and versatile structure. An importan…
Removing all periodic boundary conditions: Efficient non-equilibrium Green function calculations
Nick Papior, Gaetano Calogero, Susanne Leitherer +1
We describe a method and its implementation for calculating electronic structure and electron transport without approximating the structure using periodic super-cells. This effecti…
Multi-scale approach to first-principles electron transport beyond 100 nm
Gaetano Calogero, Nick R. Papior, Mohammad Koleini +2
Multi-scale computational approaches are important for studies of novel, low-dimensional electronic devices since they are able to capture the different length-scales involved in t…
Full-scale Simulation of Electron Transport in Nanoporous Graphene: Probing the Talbot Effect
Gaetano Calogero, Nick R. Papior, Bernhard Kretz +3
Designing platforms to control phase-coherence and interference of electron waves is a cornerstone for future quantum electronics, computing or sensing. Nanoporous graphene (NPG) c…
Large-scale tight-binding simulations of quantum transport in ballistic graphene
Gaetano Calogero, Nick R. Papior, Peter Bøggild +1
Graphene has proven to host outstanding mesoscopic effects involving massless Dirac quasiparticles travelling ballistically resulting in the current flow exhibiting light-like beha…
Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures
Nick R. Papior, Gaetano Calogero, Mads Brandbyge
We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory (DFT) calculations using a minimal LCAO (linear combi…
A Two-dimensional Dirac fermion microscope
Peter Bøggild, Jose M. Caridad, Christoph Stampfer +3
The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80…