Open AccessXANES study of the electronic structure of molten germanium
Author(s) -
Li C.,
Lu K.,
Tamura K.,
Hosokawa S.,
Inui M.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049598015957
Subject(s) - xanes , germanium , germanium compounds , materials science , electronic structure , engineering physics , chemistry , optoelectronics , physics , computational chemistry , spectroscopy , silicon , quantum mechanics
Based on measured XANES spectra of crystalline and liquid germanium(c-Ge and l-Ge), multiple scattering (MS) simulation and density of states (DOS) self-consistent calculation using the configurations generated with reverse Monte Carlo (RMC) simulation for l-Ge have been carried out to study the electronic structures near the Fermi level E-l of l-Ge. The strong white line for l-Ge is attributed to the high DOS in the conduction band and partially to the excitonic effect. The DOS of l-Ge is quite high around Es, as in a metal, while that for c-Ge opens a gap there. Taking the core hole effect into account, the p-like partial DOS of the absorbing atom shows a DOS "piling up".