74 citations · 74 across the 4 of their papers we have counts for
5 papers
Local coordination, structural softening, and polarization-switching energetics in Sc-alloyed GaN
Shailesh Kalal, Gueorgui Kostov Gueorguiev, Martin Magnuson +8
Sc-alloyed wurtzite nitrides exhibit strongly tunable electromechanical and ferroelectric properties, yet the relationship between their lattice evolution and local bonding environ…
Electronic and optical properties of core-shell InAlN nanorods: a comparative study via LDA, LDA-1/2, mBJ and methods
Ronaldo Rodrigues Pela, Ching-Lien Hsiao, Lars Hultman +2
Currently, self-induced InAlN core-shell nanorods enjoy an advanced stage of accumulation of experimental data from their growth and characterization as well as a comprehensive und…
Discovering atomistic pathways for supply of metal atoms to graphene surface from methyl-based precursors
D. G. Sangiovanni, R. Faccio, G. K. Gueorguiev +1
Conceptual 2D group III nitrides and oxides (e.g., 2D InN and 2D InO) in heterostructures with graphene have been realized by metalorganic chemical vapor deposition (MOCVD). MOCVD…
2D graphitic-like gallium nitride and structural selectivity in confinement at graphene/SiC interface
Gianfranco Sfuncia, Giuseppe Nicotra, Filippo Giannazzo +3
Predictive first-principles calculations suggest graphitic-like GaN to be theoretically possible. Thus far, it has not been experimentally reported. We report on GaN monolayer in a…
Optical and magnetic excitations of metal-encapsulating Si cages: A systematic study by time-dependent density functional theory
Micael J. T. Oliveira, Paulo V. C. Medeiros, José R. F. Sousa +2
Systematic study of the optical and magnetic excitations of twelve MSi and four MSi transition metal encapsulating Si cages has been carried out by employing real tim…