Unified theory of point–defect electronic states, core excitons, and intrinsic electronic states at semiconductor surfaces

1981 ◽  
Vol 19 (3) ◽  
pp. 383-387 ◽  
Author(s):  
R. E. Allen ◽  
J D. Dow
Keyword(s):  
Point Defect ◽  
Electronic States ◽  
Semiconductor Surfaces ◽  
Unified Theory

Mutual influence of uniaxial tensile strain and point defect pattern on electronic states in graphene

2017 ◽  
Vol 90 (6) ◽  
Author(s):  
Iyor Yu. Sagalianov ◽  
Taras M. Radchenko ◽  
Yuriy I. Prylutskyy ◽  
Valentyn A. Tatarenko ◽  
Pawel Szroeder
Keyword(s):  
Point Defect ◽  
Tensile Strain ◽  
Mutual Influence ◽  
Electronic States ◽  
Uniaxial Tensile ◽  
Defect Pattern

Use of Wyckoff position splittings in the supercell model of crystals with point defects

2017 ◽  
Vol 50 (3) ◽  
pp. 893-900 ◽  
Author(s):  
R. A. Evarestov ◽  
Yu. E. Kitaev ◽  
V. V. Porsev
Keyword(s):  
Theoretical Analysis ◽  
Ab Initio ◽  
Point Defect ◽  
Point Defects ◽  
Electronic States ◽  
Host Crystal ◽  
Wyckoff Position ◽  
Supercell Model ◽  
Impurities And Defects ◽  
Group Theoretical Analysis

The atomic sublattices occupying different Wyckoff positions in a host crystal are shown to be subdivided in the supercell model owing to the splitting of the occupied Wyckoff positions. The site symmetries of the split Wyckoff positions are in general different, which significantly increases the number of possible occupation schemes for impurities and defects in the supercell model. It is demonstrated that the use of the programs and retrieval tools of the Bilbao Crystallographic Server considerably simplifies the group-theoretical analysis of Wyckoff position splittings in the supercell model of a crystal with a point defect.Ab initiocalculations of electronic states of single defects in ZnO (Zn and O neutral vacancies) within the supercell model are performed to demonstrate the influence of Wyckoff position splittings on the results.

scholarly journals Erratum to: Mutual influence of uniaxial tensile strain and point defect pattern on electronic states in graphene

2017 ◽  
Vol 90 (7) ◽  
Author(s):  
Igor Yu. Sagalianov ◽  
Taras M. Radchenko ◽  
Yuriy I. Prylutskyy ◽  
Valentyn A. Tatarenko ◽  
Pawel Szroeder
Keyword(s):  
Point Defect ◽  
Tensile Strain ◽  
Mutual Influence ◽  
Electronic States ◽  
Uniaxial Tensile ◽  
Defect Pattern
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