Work

Stability of Polar Oxide Surfaces

Year: 2001

Type: article

Abstract: The structures of the polar surfaces of ZnO are studied using ab initio calculations and surface x-ray diffraction. The experimental and theoretical relaxations are in good agreement. The polar surfaces are shown to be very stable; the cleavage energy for the (0001)-Zn and (0001;)-O surfaces is 4.0 J/m(2) comparable to 2.32 J/m(2) for the most stable nonpolar (1010) surface. The surfaces are stabilized by an electronic mechanism involving the transfer of 0.17 electrons between them. This leads to 2D metallic surface states, which has implications for the use of the material in gas sensing and catalytic applications.

Source: Physical Review Letters

DOI: 10.1103/physrevlett.86.3811

Authors: A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T. S. Turner, G. Thornton, N. M. Harrison

Institutions: Daresbury Laboratory, University of Manchester, University of Liverpool, Imperial College London

Language: English

Topic: ZnO doping and properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2071959697

FWCI: 12.12

Cites: 24

Cited by: 442

Related to: 10