93 citations · 128 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2019★ 93 cited
Ab initio Investigation of Structural Stability and Exfoliation Energies in Transition Metal Dichalcogenides based on Ti-, V-, and Mo-Group Elements
Carlos M. O. Bastos, Rafael Besse, Juarez L. F. Da Silva +1
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds b…
cond-mat.mtrl-sci2009★ 35 cited
Atomistic origins of the phase transition mechanism in Ge2Sb2Te5
Juarez L. F. Da Silva, Aron Walsh, Su-Huai Wei +1
Combined static and molecular dynamics first-principles calculations are used to identify a direct structural link between the metastable crystalline and amorphous phases of Ge2Sb2…