477 citations · 4.6k across the 66 of their papers we have counts for
8 papers · 1 filter
Photoluminescence Lineshapes for Color Centers in Silicon Carbide from Density Functional Theory Calculations
Arsalan Hashemi, Christopher Linderalv, Arkady V. Krasheninnikov +3
Silicon carbide with optically and magnetically active point defects offers unique opportunities for quantum technology applications. Since interaction with these defects commonly…
DYNASOR -- A tool for extracting dynamical structure factors and current correlation functions from molecular dynamics simulations
Erik Fransson, Mattias Slabanja, Paul Erhart +1
Perturbative treatments of the lattice dynamics are widely successful for many crystalline materials, their applicability is, however, limited for strongly anharmonic systems, meta…
Tunable Phases of Moiré Excitons in van der Waals Heterostructures
Samuel Brem, Christopher Linderälv, Paul Erhart +1
Stacking monolayers of transition metal dichalcogenides into a heterostructure with a finite twist-angle gives rise to artificial moiré superlattices with a tunable periodicity. As…
Luminescence quenching via deep defect states: A recombination pathway via oxygen vacancies in Ce-doped YAG
Christopher Linderälv, Daniel Åberg, Paul Erhart
Luminescence quenching via non-radiative recombination channels limits the efficiency of optical materials such as phosphors and scintillators and therefore has implications for co…
Vibrational signatures for the identification of single-photon emitters in hexagonal boron nitride
Christopher Linderälv, Witlef Wieczorek, Paul Erhart
Color centers in h-BN are among the brightest emission centers known yet the origins of these emission centers are not well understood. Here, using first-principles calculations in…
A Computational Assessment of the Efficacy of Halides as Shape-Directing Agents in Nanoparticle Growth
Joakim Löfgren, J. Magnus Rahm, Joakim Brorsson +1
We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a…
Local vibrational modes of Si vacancy spin qubits in SiC
Z. Shang, A. Hashemi, Y. Berencén +4
Silicon carbide is a very promising platform for quantum applications because of extraordinary spin and optical properties of point defects in this technologically-friendly materia…
Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure
Tuomas P. Rossi, Paul Erhart, Mikael Kuisma
Metal nanoparticles are attractive for plasmon-enhanced generation of hot carriers, which may be harnessed in photochemical reactions. In this work, we analyze the coherent femtose…