Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2026
Nuclear-Electron Hyperfine Coupling of the Shallow States Associated with Vacancies in Gallium Nitride
Joseph Sink, Michael E. Flatté
We use multiband real space Green's functions computed using open-boundary conditions for clean GaN to exactly solve the potential-scattering Dyson equation to obtain the electroni…
cond-mat.mtrl-sci2025
Ab initio calculations of erbium crystal field splittings in oxide hosts: role of the 4f radial wave function
Yogendra Limbu, Yueguang Shi, Joseph Sink +3
We expand here our description of a newly developed simple and effective ab initio method of calculating crystal field coefficients (CFCs) of rare-earth atoms in insulating hosts,…
cond-mat.mtrl-sci2025
Ab initio calculations of erbium crystal field splittings in oxide hosts
Yogendra Limbu, Yueguang Shi, Joseph Sink +3
We present an effective ab initio method to calculate the crystal field coefficients of an erbium (Er3+) ion experiencing different local site symmetries in several wide-band-gap o…