Relaxation of TiO2(110)-(1x1) using surface X-ray diffraction

被引：286

作者：

Charlton, G

Howes, PB

Nicklin, CL

Steadman, P

Taylor, JSG

Muryn, CA

Harte, SP

Mercer, J

McGrath, R

Norman, D

Turner, TS

Thornton, G

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND

[2] UNIV WALES COLL CARDIFF,DEPT PHYS & ASTRON,CARDIFF CF2 3YB,S GLAM,WALES

[3] UNIV LEICESTER,DEPT PHYS & ASTRON,LEICESTER LE1 7RH,LEICS,ENGLAND

[4] UNIV LIVERPOOL,IRC SURFACE SCI,LIVERPOOL L69 3BX,MERSEYSIDE,ENGLAND

[5] UNIV LIVERPOOL,DEPT PHYS,LIVERPOOL L69 3BX,MERSEYSIDE,ENGLAND

[6] DARESBURY LAB,CCLRC,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 78卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.78.495

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Surface x-ray diffraction has been used to determine the structural relaxations of TiO2(110)-(1 x 1). The magnitudes range from 0 to 0.27 Angstrom, leading to rumpling of the titanium planes. The data are compared to the results of three independent calculations of the energy minimized structure. Excellent agreement is achieved with the positions of titanium atoms predicted by Ramamoorthy et al.

引用

页码：495 / 498

页数：4

共 21 条

[1] THE ZNSE(110) PUZZLE - COMPARISON WITH GAAS(110) [J].