Novel stabilization mechanism on polar surfaces: ZnO(0001)-Zn

被引：467
|
作者：
Dulub, O [1 ]
Diebold, U
Kresse, G
机构：
[1] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA
[2] Univ Vienna, Inst Mat Phys, A-1090 Vienna, Austria
[3] Univ Vienna, Ctr Computat Mat Sci, A-1090 Vienna, Austria
来源：
PHYSICAL REVIEW LETTERS | 2003年 / 90卷 / 01期
关键词：
D O I：
10.1103/PhysRevLett.90.016102
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The (1x1) terminated (0001)-Zn surface of wurtzite ZnO was investigated with scanning tunneling microscopy. The surface is characterized by the presence of nanosized islands with a size-dependent shape and triangular holes with single-height, O-terminated step edges. It is proposed that the resulting overall decrease of the surface Zn concentration stabilizes this polar surface. Ab initio calculations of test geometries predict triangularly shaped reconstructions over a wide range of oxygen and hydrogen chemical potentials. The formation of these reconstructions appears to be electrostatically driven.
引用
收藏
页码：1 / 016102
页数：4
相关论文
共 50 条
  • [21] Pyridine adsorption on the polar ZnO(0001) surface:: Zn termination versus O termination
    Hövel, S
    Kolczewski, C
    Wühn, M
    Albers, J
    Weiss, K
    Staemmler, V
    Wöll, C
    JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (08): : 3909 - 3916
  • [22] Interaction of atomic hydrogen with Zn-polar and O-polar ZnO surfaces
    Losurdo, M
    Giangregorio, MM
    APPLIED PHYSICS LETTERS, 2005, 86 (09) : 1 - 3
  • [23] Dipolar and charge transfer effects on the atomic stabilization of ZnO polar surfaces
    Calzolari, Arrigo
    Bazzani, Mirco
    Catellani, Alessandra
    SURFACE SCIENCE, 2013, 607 : 181 - 186
  • [24] AUGER-SPECTROSCOPY OF CLEAN ZN(0001), OXIDIZED ZN(0001) AND CLEAN ZNO(0001)
    UNERTL, WN
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1976, 21 (03): : 432 - 432
  • [25] Low temperature thermal evaporation growth of aligned ZnO nanorods on ZnO film: a growth mechanism promoted by Zn nanoclusters on polar surfaces
    Calestani, D.
    Zha, M. Z.
    Zanotti, L.
    Villani, M.
    Zappettini, A.
    CRYSTENGCOMM, 2011, 13 (05): : 1707 - 1712
  • [26] Effects of Y doping with point defects on the ferromagnetic properties of ZnO(0001)-Zn polar surface
    Li, Cong
    Hou, Qingyu
    APPLIED SURFACE SCIENCE, 2018, 459 : 393 - 396
  • [27] Theoretical Study of Syngas Hydrogenation to Methanol on the Polar Zn-Terminated ZnO(0001) Surface
    Zhao, Ya-Fan
    Rousseau, Roger
    Li, Jun
    Mei, Donghai
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (30): : 15952 - 15961
  • [28] FIELD-EMISSION SPECTROSCOPY OF ZNO (0001) AND (0001) POLAR FACES
    RIHON, N
    ULTRAMICROSCOPY, 1980, 5 (02) : 234 - 234
  • [29] Substrate mediated stabilization of methylphosphonic acid on ZnO non-polar surfaces'
    Shi, X. Q.
    Xu, H.
    Van Hove, M. A.
    Moreira, N. H.
    Rosa, A. L.
    Frauenheim, Th.
    SURFACE SCIENCE, 2012, 606 (3-4) : 289 - 292
  • [30] Mechanism of Zn stabilization in hydroxyapatite and hydrated (001) surfaces of hydroxyapatite
    Matos, M.
    Terra, J.
    Ellis, D. E.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2010, 22 (14)
12345