2k citations · 2.8k across the 22 of their papers we have counts for
22 papers
First-principles cumulant approach to the vibronic structure of spin defects
Jinsoo Park, Yu Jin, Arpan Kundu +2
Color centers in wide-band-gap semiconductors are leading platforms for solid-state quantum technologies, yet a quantitative description of their vibronic structure has remained el…
Memory Function Representation for the Electrical Conductivity of Solids
Brett R. Green, Maria Troppenz, Santiago Rigamonti +2
We derive a formula for the electrical conductivity of solids that includes relaxation, dissipation, and quantum coherence. The derivation is based on the Kubo formula, with a Mori…
Inversion Domain Boundaries in Wurzite GaN
M. M. F. Umar, Jorge O. Sofo
We present two models for the atomic structure of inversion domain boundaries in wurzite GaN, that have not been discussed in existing literature. Using density functional theory,…
Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates
Maria Troppenz, Santiago Rigamonti, Jorge O. Sofo +1
On the quest for efficient thermoelectrics, semiconducting behavior is a targeted property. Yet, this is often difficult to achieve due to the complex interplay between electronic…
Landau Level Phases in Bilayer Graphene under Pressure at Charge Neutrality
Brett R. Green, Jorge O. Sofo
Bilayer graphene in a magnetic field hosts a variety of ordered phases built from eight Landau levels close in energy to the neutrality point. These levels are characterized by orb…
Low energy phases of bilayer Bi predicted by structure search in two dimensions
Sobhit Singh, Zeila Zanolli, Maximilian Amsler +4
We employ an ab-initio structure search algorithm to explore the configurational space of Bi in quasi two dimensions. A confinement potential restricts the movement of atoms within…