SE-RICH PHASE OF ZNSE(100) PREDICTED BY TOTAL-ENERGY CALCULATIONS

被引:27
作者
GARCIA, A
NORTHRUP, JE
机构
[1] Xerox Palo Alto Research Center, Palo Alto, CA 94304
关键词
D O I
10.1063/1.112276
中图分类号
O59 [应用物理学];
学科分类号
摘要
The relative stability of various ZnSe(100) surface reconstructions is investigated by means of first-principles pseudopotential calculations. A c(2x2) reconstruction with half-monolayer coverage of twofold coordinated Zn atoms is stable in the Zn-rich limit. Under moderately Se-rich conditions, the surface adopts a (2x1) Se-dimer phase. In the extreme Se-rich limit, realizable at low growth temperatures, we predict the stability of a new phase covered with one and a half monolayers of Se. The new structure can account for observed growth rates in atomic layer epitaxy and migration enhanced epitaxy experiments.
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页码:708 / 710
页数:3
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