Determination of large unit cells of ordered surface structures by tensor LEED

通过张量 LEED 确定有序表面结构的大晶胞

• 批准号: 06452038
• 负责人: TOCHIHARA Hiroshi
• 金额: $ 4.16万
• 依托单位: Hokkaido University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for General Scientific Research (B)
• 财政年份: 1994
• 资助国家: 日本
• 起止时间: 1994 至 1995
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-06452038/
• 关键词: Large unit cell; Alkali metal; Low-energy electron diffraction; Alloy; Adsorption; Surface structure determination; 表面合金; アルカリ金属原子

Surface structure sequence 2x1*3x3*4x4 formed on Cu (001) by Li deposition at room temperature has been determined by automated tensor LEED analysis. All three structures include considerable displacement of substrate surface Cu atoms. The 2x1 structure is formed by missing of every second row of the Cu (001) plane, and Li atoms are located in the missing-row sites. This is substitutional adsorption of Li atoms. At the completion of the 2x1 structure (Li coverage 0.4), no substitutional site remains. Then surface Cu and Li atoms move around and form space for Li adatoms. This is the 3x3 structure, in which a single Li adatom is located on a small island of four Cu atoms separated and joined by pairs of substitutional Li atoms. Then, Li coverage increases to 0.556, while the average adsorption energy per Li atom decreases because of appearance of Li adatoms having smaller binding energy than the substitutional Li atoms. With increasing Li coverage further, similar 4x4 structure is formed. Again the average adsorption energy decreases because of increase of Li adatoms in the 4x4. Thus the surface accommodates additional Li atoms at the cost of the average adsorption energy.

用自动张量LEED分析确定了室温下Li沉积在Cu（001）表面形成的2x1*3x3*4x4表面结构序列。所有这三种结构包括基板表面Cu原子的相当大的位移。通过缺失Cu（001）面的每隔一行来形成2x1结构，并且Li原子位于缺失行的位置。这是Li原子的置换吸附。在完成的2x1结构（锂覆盖率0.4），没有替代网站仍然存在。然后表面Cu和Li原子四处移动，形成Li吸附原子的空间。这是3x3结构，其中单个Li吸附原子位于四个Cu原子的小岛上，所述四个Cu原子通过取代Li原子对分离和连接。然后，Li覆盖度增加到0.556，而每个Li原子的平均吸附能降低，因为Li吸附原子的出现具有比取代Li原子更小的结合能。随着进一步增加Li覆盖，形成类似的4x4结构。同样，平均吸附能降低，因为在4x4中的Li吸附原子的增加。因此，表面以平均吸附能为代价容纳额外的Li原子。

项目成果

S.Mizuno: "Honecomb structure of adatoms surrounding substitutional atoms:Cu(111)-(2×2)-3Li" Physical Review B. 51. 7981-7984 (1995)

S.Mizuno：“取代原子周围吸附原子的蜂窝结构：Cu(111)-(2×2)-3Li” 物理评论 B. 51. 7981-7984 (1995)

栃原浩: "表面のアトムプロセス" 学会出版センター, 183 (1995)

Hiroshi Tochihara：“表面上的原子过程”学会出版中心，183（1995）

S.Mizuno: "Complex surface alloy formed by Liadsorption on Cu(001),determined by dynamical low-energy electron diffraction" Physical Review B. 51. 1969-1972 (1995)

S.Mizuno：“通过动态低能电子衍射测定的 Cu(001) 上 Liadsorbation 形成的复杂表面合金” 物理评论 B. 51. 1969-1972 (1995)

S.Mizuno: "Complex surface alloy formed by Li adsorption on Cu (001), determined by dynamical low-energy electron diffraction" Physical Review B. 51. 1969-1972 (1995)

S.Mizuno：“Li 吸附在 Cu (001) 上形成的复杂表面合金，通过动态低能电子衍射测定”物理评论 B.51。1969-1972 (1995)

S.Mizuno: "Honecomb stvucture of a datoins surrounding substituted atoms:Cu(III)-(2×2)-3Li" Physical Review B. 51(印刷中)(3月号). (1995)

S. Mizuno：“取代原子周围的 datoins 的蜂窝结构：Cu(III)-(2×2)-3Li”物理评论 B. 51（印刷中）（3 月号）（1995 年）。