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Asymmetric adsorption-site of potassium atoms in the (3 × 2)-p2mg structure formed on Cu(001)

机译:Cu(001)上形成的(3×2)-p2mg结构中钾原子的不对称吸附位

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The adsorption of K atoms on Cu(001) has been studied by low-energy electron diffraction (LEED) at room temperature (RT) and 130 K. At RT, a (3 × 2)-p2mg LEED pattern with single-domain was observed at coverage of 0.33, whereas the orthogonal two-domain was found at 130 K. At 130 K, a c(4 × 2) pattern with orthogonal two-domain was observed at coverage 0.25. Both the (3 × 2)-p2mg and c(4 × 2) structures have been determined by a tensor LEED analysis. It is demonstrated that K atoms are adsorbed on surface fourfold hollow sites in the c(4 × 2), while in the (3 × 2) structure two K atoms in the unit cell are located at an asymmetric site with a glide-reflection-symmetry. The asymmetric site is at near the midpoint between the exact hollow site and bridge-site but slightly close to the hollow site. A rumpling of 0.07 A in the first Cu layer was confirmed, which might stabilize K atoms at the asymmetric site. Surface structures appearing in a coverage range 0.25-0.33 are discussed in terms of the occupation of the asymmetric site with increase of coverage.
机译:在室温(RT)和130 K下,通过低能电子衍射(LEED)研究了K原子在Cu(001)上的吸附。在RT下,具有单畴的(3×2)-p2mg LEED模式是在0.33的覆盖范围内观察到正交,而在130 K处发现正交的两个域。在130 K处,在0.25的覆盖范围内观察到具有正交的两个域的ac(4×2)模式。 (3×2)-p2mg和c(4×2)结构均已通过张量LEED分析确定。结果表明,K原子被吸附在c(4×2)的表面四倍的空心位点上,而在(3×2)结构中,晶胞中的两个K原子位于一个非对称位点,具有滑行反射-对称。不对称部位在确切的空心部位和桥部位之间的中点附近,但稍微靠近空心部位。证实在第一Cu层中起皱为0.07A,这可能使不对称位点处的K原子稳定。讨论了出现在覆盖范围为0.25-0.33范围内的表面结构,其依据是随着覆盖范围的增加,不对称站点的占用。

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