Yu. M. GORYACHEV and I. A. PODCHRNYAEVA: Elektronenstruktur 413 phys. stat. sol. (b) 56, 443 (1972) Subject classification: 13.3; 17; 21 Irhstitut f u r Probleme der Werkstoffkunde der Akadenzie der Wzssenschaften der U S S R , Kieo Elektronenstruktur und Oberflacheneigenschaften von Ubergangsmetallen V0n Yu. M. GORYACHEV und I. A. PODCHERNYAEVA Nit dem GO LCAO-Verfahren (tight-binding-Pu'aherung) wird das Energiespektruni der Valenzelektronen fur die (111)-und (110)-Flachen von Mo-, Wund Re-Kristallen (mit hypothetischer k.r.z.-Struktur) fur die Analyse der GriiBenund der Elektronenbesetzung der 8-und d-Zustande der OberflBchenatome berechnet. Es wird gezeigt, da13 die Anisotropie der Elektronenaustrittsarbeit mit der Besetzung der Elektronenzustande der Oberflachenatome zusammenhangt.Using the GO LCAO treatment (tight-binding approximation) the energy spectrum of valence electrons for the (111) and (110) planes of Mo, W, and Re crystals (with hypothetic b.c.c. structure) is calculated t o analyze the correlation of the magnitudes and the electron populations of the s and d states of the surface atoms. It is shown that the anisotropy of the electron work function is related to the electron population of the surface atoms.
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