activity
20162019
most citedAb initio Investigation of Structural Stability and Exfoliation Energies in Transition Metal Dichalcogenides based on Ti-, V-, and Mo-Group Elements

93 citations · 214 across the 4 of their papers we have counts for

collaborators

4 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-sci2018★ 53 cited

A Comprehensive Study of -Factors, Elastic, Structural and Electronic Properties of III-V Semiconductors using Hybrid-Density Functional Theory

Carlos M. O. Bastos, Fernando P. Sabino, Guilherme M. Sipahi +1

Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches…

cond-mat.mtrl-sci2016★ 14 cited

Stability and accuracy control of parameters

Carlos M. O. Bastos, Fernando P. Sabino, Paulo E. Faria Junior +3

The method is a successful approach to obtain band structure, optical and transport properties of semiconductors, and it depends on external parameters that ar…

cond-mat.mtrl-sci2016★ 54 cited

Realistic multiband k.p approach from ab initio and spin-orbit coupling effects of InAs and InP in wurtzite phase

Paulo E. Faria Junior, Tiago Campos, Carlos M. O. Bastos +3

Semiconductor nanowires based on non-nitride III-V compounds can be synthesized under certain growth conditions to favor the appearance of wurtzite crystal phase. Despite the repor…