“…Many of them possess various phase transitions, extreme dielectric and electronic properties [1]. The TlInSe 2 is a ternary chain crystal [2]. The chain character of its structure derives from the presence of two inequivalent cation sites.…”
The paper presents the X-ray photoelectron spectra (XPS) of the valence band (VB) and of the principal core levels (CL) from the (010) and (001) plane axes for the quasi-one-dimensional TlInSe2 single crystal. The XPS were measured with monochromatized Al Kα radiation in the energy range of 0-1400 eV at room and 393 K temperature. The VB is located 0.6-10 eV below the Fermi level. Experimental energies of the VB and CL are compared with the results of quantum mechanical ab initio calculations of the molecular model of the TlInSe2 crystal. The electronic structure of the VB and CL is described theoretically by quantum mechanical Hartree-Fock calculations. The surface and bulk atoms influence the shape of the VB and CL, which is crystallographic plane dependent. The chemical shifts in the TlInSe2 crystal for the Tl, In, and Se states are obtained.
“…Many of them possess various phase transitions, extreme dielectric and electronic properties [1]. The TlInSe 2 is a ternary chain crystal [2]. The chain character of its structure derives from the presence of two inequivalent cation sites.…”
The paper presents the X-ray photoelectron spectra (XPS) of the valence band (VB) and of the principal core levels (CL) from the (010) and (001) plane axes for the quasi-one-dimensional TlInSe2 single crystal. The XPS were measured with monochromatized Al Kα radiation in the energy range of 0-1400 eV at room and 393 K temperature. The VB is located 0.6-10 eV below the Fermi level. Experimental energies of the VB and CL are compared with the results of quantum mechanical ab initio calculations of the molecular model of the TlInSe2 crystal. The electronic structure of the VB and CL is described theoretically by quantum mechanical Hartree-Fock calculations. The surface and bulk atoms influence the shape of the VB and CL, which is crystallographic plane dependent. The chemical shifts in the TlInSe2 crystal for the Tl, In, and Se states are obtained.
The electronic structure of the layered compound RuCI, is studied by means of X-ray photoelectron spectroscopy and angle-resolved ultraviolet photoelectron spectroscopy. The energy distribution curves are measured along different azimuthal directions TM, TM', and TK in the Brillouin zone. The experimental valence bands of RuCI, consisting of an uppermost non-dispersive band of d symmetry at about 2eV above the top of the valence p band, and two dispersive bands of p symmetry are studied by application of the E(k,,) method. The nature of the valence bands of RuCI, are discussed in relation to the electronic structure of the metal RuO, owing to their similar X-ray photoelectron spectra.Nous presentons les resultats de mesures de photoemission angulaire sur le compose lamellaire RuC1, a l'energie d'excitation de 21,2 eV. Par application de la rnkthode E(kll) nous proposons une structure de bandes experimentales. La nature des bandes de valence est donnCe et un bon accord avec la structure electronique de RuO, est trouve.
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