Calculation of density of states of transition metals: From bulk sample to nanocluster
А. V. KrasavinNational Research Nuclear University MEPhI 1 , Kashirskoye shosse 31, Moscow 115409, Russian FederationPetr V. BorisyukNational Research Nuclear University MEPhI 1 , Kashirskoye shosse 31, Moscow 115409, Russian FederationOleg S. VasilievNational Research Nuclear University MEPhI 1 , Kashirskoye shosse 31, Moscow 115409, Russian FederationYaroslav ZhumagulovNational Research Nuclear University MEPhI 1 , Kashirskoye shosse 31, Moscow 115409, Russian FederationV. А. KashurnikovNational Research Nuclear University MEPhI 1 , Kashirskoye shosse 31, Moscow 115409, Russian FederationU.N. KurelchukNational Research Nuclear University MEPhI 1 , Kashirskoye shosse 31, Moscow 115409, Russian FederationYu. Yu. LebedinskiǐMoscow Institute of Physics and Technology (State University) 2 , 9 Institutskiy Pereulok, Dolgoprudny, Moscow 141700, Russian Federation
2018en
ABI
Annotatsiya
A technique is presented of restoring the electronic density of states of the valence band from data of X-ray photoelectron spectroscopy (XPS). The originality of the technique consists in using a stochastic procedure to solve an integral equation relating the density of states and the experimental X-ray photoelectron spectra via the broadening function. To obtain the broadening function, only the XPS spectra of the core levels are needed. The results are presented for bulk sample of gold and tungsten and nanoclusters of tantalum; the possibility of using the results to determine the density of states of low-dimensional structures, including ensembles of metal nanoclusters, is demonstrated.
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