Zobrazeno 1 - 10
of 16
pro vyhledávání: '"A. N. Ermoshkin"'
Publikováno v:
Gornyi Zhurnal. :138-143
Publikováno v:
Gornyi Zhurnal. :26-31
Semiempirical Calculations of the Impurity Level Positions with Respect to the Perfect Crystal Bands
Publikováno v:
physica status solidi (b). 103:581-587
The semiempirical calculation of the electronic structure of a perfect KCl crystal carried out within the framework of the large unit cell model is compared with those performed using the cluster model. The positions of the ground state one-electron
Publikováno v:
physica status solidi (b). 70:749-758
Polarized luminescence of (Ga+)2, (In+)2 and (Tl+)2 centres in KCl crystals is investigated experimentally. In the series of KCl, KBr, and KI crystals the (Tl+)2 centres are studied in order to clear up the influence of the anions on the (A+)2 centre
Autor:
Robert A. Evarestov, A. N. Ermoshkin
Publikováno v:
Physica Status Solidi (b). 86:47-55
The Mulliken-Ruedenberg approximation which has been developed for the molecular calculations is generalized for solids in the framework of the large unit cell approach. In such a model the periodical boundary conditions are taken into account. The c
Publikováno v:
physica status solidi (b). 73:81-86
The model of the molecular duster (MC) which has been applied for perfect MgO and CaO crystals is applied now to F+ and F centres in these crystals. A method is proposed to estimate the optical transition energies within the SCCC technique. The calcu
Publikováno v:
Czechoslovak Journal of Physics. 25:1201-1207
One-electron energy levels of NiF64− cluster, effective charges qNi and qF, parameters 10Dq,λcrys,ɛ,fs,fσ andfπ were calculated using four alternative models of population analysis. The influence of the size of basis set was also investigated.
Publikováno v:
physica status solidi (b). 72:787-794
The model of the molecular cluster (MC) is used to determine the properties of the perfect crystals MgO and CaO (the widths of the valence bands and forbidden gap, the effective charges of ions). The effective charges in the perfect crystal are shown
Autor:
A. N. Ermoshkin, Robert A. Evarestov
Publikováno v:
physica status solidi (b). 66:687-694
The results of the calculations of the electronic structure of the F-centre and the impurity centre LiH(Mg) by means of the molecular orbital method in the framework of the so-called cluster model are reported. An attempt is made to estimate the posi
Publikováno v:
physica status solidi (b). 121:K59-K63