1 citations · 2 across the 5 of their papers we have counts for
5 papers · 1 filter
Exploring the magnetic landscape of easily-exfoliable two-dimensional materials
Fatemeh Haddadi, Davide Campi, Flaviano dos Santos +4
Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global min…
Novel materials in the Materials Cloud 2D database
Davide Campi, Nicolas Mounet, Marco Gibertini +2
Two-dimensional (2D) materials are among the most promising candidates for beyond-silicon electronic, optoelectronic and quantum computing applications. Recently, their recognized…
Abundance of topological order in exfoliable two-dimensional insulators
Antimo Marrazzo, Marco Gibertini, Davide Campi +2
Quantum spin Hall insulators are a class of two-dimensional materials with a finite electronic band gap in the bulk and gapless helical edge states. In the presence of time-reversa…
Precision and efficiency in solid-state pseudopotential calculations
Gianluca Prandini, Antimo Marrazzo, Ivano E. Castelli +2
Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a p…
High-accuracy first-principles determination of the structural, vibrational and thermodynamical properties of diamond, graphite, and derivatives
Nicolas Mounet, Nicola Marzari
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density…