Abstract
The paper presents the results of studying the peculiarities of formation of the valence band and the conduction band of crystalline compounds in Ag(Tl)-As(P)-S(Se) systems with sp3-type bond by using the photoelectron spectroscopy method. From the spectral distribution of photoemission by energy, the crystal photoelectron work function hν0 was determined. It was shown that the use of a limited basis (only ionization potentials of atoms and interatomic distances) for crystals with sp3-type bond within the framework of the LCAO model gives sufficiently accurate results of the position of the valence band top and the electron affinity value. Calculations show that the position of the valence band top defines the bonds of As-S(Se) and P-S(Se) atoms, while the hybridized orbitals of Ag and Tl atoms are formed in the conduction band.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
