The Discrete Variational Xα‐Method Interpretation of the C KVV and Ti L_2,3M_2,3V Auger Spectra of TiC

Abstract

The C KVV and Ti L2,3M2,3V Auger spectra are obtained for near stoichiometric Tic. Their interpretation is based on the results of the DVM-X, calculations of the Auger transition energies in a cluster approach and the evaluation of each transition intensity in the one-centre approximation. The crystal structure is accounted for in the embedding cluster model. Theoretical values of the Auger energies and probabilities of transitions allow to describe qualitatively all the peculiarities of the Tic experimental spectra. Owe-cneKTpH c KVV H TiLz,3M2,3V ~a p 6~~a TuTaHa nonyr1eHH ~n f i cocTaBa Tic, 6n~31ioro K CTeXMOMeTpMseCKOMy. klHTepIIpeTaUllH CneKTpOB OCHOBaHa Ha pe3yJIbTaTaX PaCseTa 3HePrHfi Ome-IIepeXOnOB AHCHpeTHO-BapllaqMOHHbIM Xa-MeTOAOM B HJlaCTepHOM B IICeBAOKPEICTaJIJI ' ', a HHTeHCMBHOCTH Ome-dlMHHB PaCC4MTaHbI B OAHOlleHTPOBOM npM-BOJIRIOT KaWCTBeHHO OIIHCaTb BCe OCO6eHHOCTll 3KCIIepEIMeHTaJIbHbIX CneHTpOB. I I~H~~E I~~H E I E I . ICpHcTannMsecHoe oIipymeHwe ysTeHo B paMKax MoAeaH , ,norpymeHm 6name~mi. TeopeTmecraie ~H~~~H E I R a~eprafi EI BepomHocTefi Owe-nepexoAoB 1103-

A comparison of results of calculations by various methods on the KVV Auger spectra of the CO molecule

“…Using this technique in the framework of the discrete variational X~ = method [47][48][49], calculations on the N KVV Auger spectra of the structure unit of the polycrystalline NH4C1 [45], clusters NH +, NH~ and NH 4 [50] (the method of calculations for the doublet-quartet splittings is given in [51]) the NOr ion [50], as well as the C KVV and Ti LMV Auger spectra of clusters [Ti6C] 4+ [52] and [TiC,] k- [53] have been carried out. The clusters were embedded in a pseudocrystalline field [54].…”

Electronic Properties of Surfaces of Transition Metal Refractory Carbides and Nitrides

“…comparable with the width of the valence subbands) in the case of holes on nitrogen and carbon atoms. [52] report the results of X,DV calculations of the energies and probabilities of Auger transitions in the case of TIC with the use of minimum-sized clusters. In this work, the Ti LMV AES form has been found to be determined mainly by transitions with participation of 3d electrons into the final states of the hole configurations 3t;:lt,, ' and 3t;,'3eg-l (in the orbital system of the TIC, cluster).…”