A Theoretical Study of Simple Complexes of Point Defects in Alkali Halides by the Lattice Static Method

1984 ◽  
Vol 125 (1) ◽  
pp. 155-160 ◽  
Author(s):  
G. R. Augst ◽  
Yu. I. Vladislavskii
Keyword(s):  
Point Defects ◽  
Theoretical Study ◽  
Alkali Halides ◽  
Static Method

A THEORETICAL STUDY OF INTRINSIC AND EXTRINSIC DEFECT PROPERTIES OF ALKALI HALIDES

1976 ◽  
Vol 37 (C7) ◽  
pp. C7-253-C7-259 ◽  
Author(s):  
C. R.A. CATLOW ◽  
J. CORISH ◽  
K. M. DILLER ◽  
P. W.M. JACOBS ◽  
M. J. NORGETT
Keyword(s):  
Theoretical Study ◽  
Alkali Halides ◽  
Extrinsic Defect

Theoretical Study on the Point Defects in N-Doped Anatase TiO2

2008 ◽  
Vol 53 (9(4)) ◽  
pp. 2292-2298 ◽  
Author(s):  
Fei Pei ◽  
Song Wu ◽  
Gang Wang ◽  
Ming Xu ◽  
Song-You Wang ◽  
...  
Keyword(s):  
Point Defects ◽  
Theoretical Study ◽  
Anatase Tio2

ATOMIC DISPLACEMENTS DUE TO POINT DEFECTS IN Ni DILUTE ALLOYS

2003 ◽  
Vol 17 (12) ◽  
pp. 2417-2428 ◽  
Author(s):  
HITESH SHARMA ◽  
S. PRAKASH
Keyword(s):  
Point Defects ◽  
Strain Field ◽  
Static Method ◽  
Embedded Atom Method ◽  
Relaxation Energy ◽  
Dilute Alloys ◽  
Metal Impurities ◽  
Embedded Atom ◽  
Atomic Displacements ◽  
Transition Metal Impurities

The Embedded atom method has been used to investigate the strain field due to substitutional transition metal impurities in Ni. The calculations are carried out in the discrete lattice model of the metal using Kanzaki lattice static method. The results for atomic displacements due to 3d, 4d and 5d impurities (Cu, Pd, Pt and Au) in Ni are given up to 20 NN's of impurity and are compared with the earlier calculations and with the available experimental data. The maximum displacements of 3.6% of 1NN distance are found for NiAu, while the minimum displacements of 0.78% of 1NN distance are found for NiCu alloy respectively. The relaxation energy for Cu are found less than those for Pd, Au and Pt impurities in the Ni host.

scholarly journals A theoretical study of desorption induced by electronic transitions in alkali halides

1989 ◽  
Vol 217 (3) ◽  
pp. A375
Author(s):  
Noriaki Itoh ◽  
A.M. Stoneham ◽  
A.H. Harker
Keyword(s):  
Theoretical Study ◽  
Alkali Halides ◽  
Electronic Transitions

Reactions among Point Defects in Alkali Halides

1962 ◽  
Vol 33 (1) ◽  
pp. 414-421 ◽  
Author(s):  
A. B. Lidiard
Keyword(s):  
Point Defects ◽  
Alkali Halides
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