DocumentCode
1750029
Title
Elongated lattice relaxation on a ZnO(0001) surface
Author
Maki, Hideyuki ; Ichinose, Noboru ; Ohashi, Naoki ; Haneda, Hajime ; Tanaka, Junzo
Author_Institution
Sch. of Sci. & Eng., Waseda Univ., Tokyo, Japan
Volume
1
fYear
2000
fDate
2000
Firstpage
423
Abstract
A ZnO single crystal has the (0001) polar surface terminated by Zn ions. The lattice relaxation of the surface was investigated on the basis of DV-Xα calculations. The covalent bond strength took a maximal value for the lattice elongation of 0.04 nm, being ascribed to the decrease in antibonding. The covalent bonding plays an important role in the lattice relaxation of the (0001) ZnO surface
Keywords
II-VI semiconductors; Xalpha calculations; bonds (chemical); elongation; relaxation; surface structure; zinc compounds; (0001) polar surface; DV-Xα calculations; Zn surface termination; ZnO; ZnO(0001) surface; antibonding; covalent bond strength; elongated lattice relaxation; single crystal; Bonding; Chemicals; Crystals; Ferroelectric materials; Lattices; Light emitting diodes; Orbital calculations; Semiconductor thin films; Surface acoustic wave devices; Zinc oxide;
fLanguage
English
Publisher
ieee
Conference_Titel
Applications of Ferroelectrics, 2000. ISAF 2000. Proceedings of the 2000 12th IEEE International Symposium on
Conference_Location
Honolulu, HI
ISSN
1099-4734
Print_ISBN
0-7803-5940-2
Type
conf
DOI
10.1109/ISAF.2000.941586
Filename
941586
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