Mobility of F Centers in Alkali Halides

2021 ◽  
Author(s):  
Michael Häfner ◽  
Thomas Bredow
Keyword(s):  
Alkali Halides ◽  
F Centers

The role of K shell ionization in the formation of F centers in alkali halides at 78°K—II. RbBr

1970 ◽  
Vol 31 (6) ◽  
pp. 1281-1285 ◽  
Author(s):  
Baltasar A. Cruz-Vidal ◽  
Fernando Díaz-Hernández ◽  
Henry J. Gomberg
Keyword(s):  
Alkali Halides ◽  
Shell Ionization ◽  
F Centers

On the oscillator strength of F centers in alkali halides

1975 ◽  
Vol 69 (2) ◽  
pp. 519-526 ◽  
Author(s):  
L. Bosi ◽  
A. L. Fantola-Lazzarini ◽  
E. Lazzarini ◽  
V. Marigliano Ramaglia ◽  
A. Tagliacozzo
Keyword(s):  
Oscillator Strength ◽  
Alkali Halides ◽  
F Centers

Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, PbZrO3 and BaZrO3 (001), (011) and (111) surfaces as well as F centers, polarons, KTN solid solutions and Nb impurities therein

2014 ◽  
Vol 28 (17) ◽  
pp. 1430009 ◽  
Author(s):  
R. I. Eglitis
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Solid Solutions ◽  
Alkali Halides ◽  
Shallow Donor ◽  
Surface Energies ◽  
F Center ◽  
Bonding Properties ◽  
Almost All ◽  
F Centers

In this paper, the review of recent results of calculations of surface relaxations, energetics, and bonding properties for ABO 3 perovskite (001), (011) and (111) surfaces using mostly a hybrid description of exchange and correlation is presented. Both AO and BO 2-terminations of the nonpolar (001) surface and A , BO , and O terminations of the polar (011) surface, as well as B and AO 3-terminations of the polar (111) surface were considered. On the AO -terminated (001) surface, all upper-layer A atoms relax inwards, while all second layer atoms relax outwards. For the BO 2-terminated (001) surface, in most cases, the largest relaxations are on the second-layer metal atoms. For almost all ABO 3 perovskites, the surface rumpling is much larger for the AO -terminated than for the BO 2-terminated (001) surface, but their surface energies are always quite similar. In contrast, different terminations of the (011) ABO 3 surface lead to very different surface energies for the O -terminated, A -terminated, and BO -terminated (011) surface, respectively. A considerable increase in the Ti – O or Zr – O , respectively, chemical bond covalency near the (011) surface as compared both to the bulk and to the (001) surface in ABO 3 perovskites were predicted. According to the results of ab initio calculations for Nb doped SrTiO 3, Nb is a shallow donor; six nearest O ions are slightly displaced outwards from the Nb ion. The F center in ABO 3 perovskites resembles electron defects in the partially-covalent SiO 2 crystal rather than usual F centers in ionic crystals like MgO and alkali halides. The results of calculations for several perovskite KNb x Ta 1-x O 3 (KTN) solid solutions, as well as hole and electron polarons in ABO 3 perovskites are analyzed.

F-Centers in Alkali Halides

1968 ◽  
Vol 62 (5_6) ◽  
pp. 332-332
Author(s):  
F. Sauter
Keyword(s):  
Alkali Halides ◽  
F Centers

The role of K-shell ionization in the formation of F centers in alkali halides at 78°K—III. KCl

1970 ◽  
Vol 31 (6) ◽  
pp. 1287-1290 ◽  
Author(s):  
Baltasar A. Cruz-Vidal ◽  
Laureano Niño-Rojas ◽  
Henry J. Gomberg
Keyword(s):  
Alkali Halides ◽  
Shell Ionization ◽  
F Centers

Ab initio study of F-centers in alkali halides

2017 ◽  
Vol 139 ◽  
pp. 1-7 ◽  
Author(s):  
J. Hoya ◽  
J.I. Laborde ◽  
D. Richard ◽  
M. Rentería
Keyword(s):  
Ab Initio ◽  
Alkali Halides ◽  
Ab Initio Study ◽  
F Centers
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