8 citations · 9 across the 3 of their papers we have counts for
5 papers · 1 filter
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Edge conductivity in PtSe nanostructures
Roman Kempt, Agnieszka Kuc, Thomas Brumme +1
PtSe is a promising 2D material for nanoelectromechanical sensing and photodetection in the infrared regime. One of its most compelling features is the facile synthesis at temp…
Stacking polymorphism in PtSe drastically affects its electromechanical properties
Roman Kempt, Sebastian Lukas, Oliver Hartwig +8
PtSe is one of the most promising materials for the next generation of piezoresistive sensors. However, the large-scale synthesis of homogeneous thin films with reproducible el…
Blue phosphorene bilayer is a two-dimensional metal -- and an unambiguous classification scheme for buckled hexagonal bilayers
Jessica Arcudia, Roman Kempt, Miguel Eduardo Cifuentes-Quintal +2
High-level first-principles computations predict blue phosphorene bilayer to be a two-dimensional metal. This structure has not been considered before and was identified by employi…
Two dimensional crystals in three dimensions: electronic decoupling of single-layered platelets in colloidal nanoparticles
Roman Kempt, Agnieszka Kuc, Jae Hyo Han +2
Two-dimensional crystals, single sheets of layered materials, often show distinct properties desired for optoelectronic applications, such as larger and direct band gaps, valley- a…