159 citations · 724 across the 17 of their papers we have counts for
17 papers
PAOFLOW: an automated suite for ab initio electronic, transport, and topological properties of materials
Anooja Jayaraj, Sergio Alvarruiz, Mia Falatko +10
High-throughput first-principles property calculations are often constrained by costly post-processing and dense Brillouin-zone sampling, impeding the creation of large, internally…
Electronic transport properties of MoS nanoribbons embedded on butadiene solvent
Armando Pezo, Matheus P. Lima, Marcio Costa +1
Transition metal dichalcogenides (TMDCs) are promising materials for applications in nanoelectronics and correlated fields, where their metallic edge states play a fundamental role…
Connecting Higher-Order Topology with the Orbital Hall Effect in Monolayers of Transition Metal Dichalcogenides
Marcio Costa, Bruno Focassio, Tarik P. Cysne +5
Monolayers of transition metal dichalcogenides (TMDs) in the 2H structural phase have been recently classified as higher-order topological insulators (HOTI), protected by rot…
Advanced modeling of materials with PAOFLOW 2.0: New features and software design
Frank T. Cerasoli, Andrew R. Supka, Anooja Jayaraj +7
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are no…
Room-temperature ferroelectric switching of spin-to-charge conversion in GeTe
Sara Varotto, Luca Nessi, Stefano Cecchi +17
Since its birth in the 1990s, semiconductor spintronics has suffered from poor compatibility with ferromagnets as sources of spin. While the broken inversion symmetry of some semic…
Structural and electronic properties of realistic two-dimensional amorphous topological insulators
Bruno Focassio, Gabriel R. Schleder, Marcio Costa +2
We investigate the structure and electronic spectra properties of two-dimensional amorphous bismuthene structures and show that these systems are topological insulators. We employ…