6 papers
Broken site symmetry of Fe adatoms on BiTe
Duy Nguyen, Hari Paudyal, Joseph R. Sink +2
We report a combined scanning tunneling microscopy and atomistic theoretical study of Fe adatoms on the BiTe(111) surface. Topographic imaging at ~K shows that Fe adat…
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…
Microscopic Scattering Approach to In-Gap States: Cr Adatoms on Superconducting β-Bi2Pd
Joseph Sink, Hari Paudyal, Divya Jyoti +4
We develop a microscopic scattering formalism to describe Yu-Shiba-Rusinov (YSR) states due to a single Cr adatom on the Bi-terminated surface of , by combining ab initi…
Imaging the Acceptor Wave Function Anisotropy in Silicon
Manuel Siegl, Julian Zanon, Joseph Sink +5
We present the first scanning tunneling microscopy (STM) images of hydrogenic acceptor wave functions in silicon. These acceptor states appear as square ring-like features in STM i…
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,…
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…