3 papers
cond-mat.mtrl-sci2023
Structure prediction and characterization of CuI-based ternary -type transparent conductors
Michael Seifert, Tomáš Rauch, Miguel A. L. Marques +1
Zincblende copper iodide has attracted significant interest as a potential material for transparent electronics, thanks to its exceptional light transmission capabilities in the vi…
cond-mat.mtrl-sci2018
Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study
Francesco Naccarato, Francesco Ricci, Jin Suntivich +3
Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically d…
cond-mat.mtrl-sci2008
Spin-Transport in Defective Graphene Nanoribbons
S. M. -M. Dubois, G. -M. Rignanese, J. -C. Charlier
Using first-principles calculations, the effect of magnetic point defects (vacancy and adatom) is investigated in zigzag graphene nanoribbons. The structural, electronic, and spin-…