THE (1X3) MISSING-ROW SURFACE-STRUCTURE OF BE(11(2)BAR-0)

被引:10
作者
HANNON, JB
PLUMMER, EW
WENTZCOVITCH, RM
LAM, PK
机构
[1] BROOKHAVEN NATL LAB, DEPT PHYS, UPTON, NY 11973 USA
[2] UNIV HAWAII MANOA, DEPT PHYS & ASTRON, HONOLULU, HI 96822 USA
基金
美国能源部;
关键词
D O I
10.1016/0039-6028(92)91220-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report an observation of a clean-surface reconstruction of a simple metal, a (1 x 3) structure on Be(1120BAR). Kinematic analysis of low-energy electron diffraction indicates that the (1 x 3) reconstruction involves the displacement of atomic chains at the surface. The stabilities of the unrelaxed, bulk-terminated surface and two proposed models based on missing rows were calculated using a first-principles pseudopotential method within the local-density approximation. Our results indicate that surface relaxation must be the determining factor in the stability of the reconstruction. Since Be has no occupied d-bands, the mechanism driving the reconstruction must be different from that of transition- and noble-metal missing-row reconstructions.
引用
收藏
页码:7 / 13
页数:7
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