| CO在hcp(0001)和fcc(111)面上吸附的间接相互作用 |
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| 引用本文： | 危书义 戴宪起. CO在hcp(0001)和fcc(111)面上吸附的间接相互作用[J]. 河南师范大学学报(自然科学版), 1993, 21(2): 38-42 |
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| 作者姓名： | 危书义 戴宪起 |
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| 作者单位： | 河南师范大学物理系，河南师范大学物理系，河南师范大学物理系 |
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| 摘 要： | 本文采用格林函数方法,用单电子理论在紧束缚近似下研究了一氧化碳在过渡金属六角密排(0001)面和面心立方(111)面上吸附的间接相互作用。计算中采用复能积分方法避免了由于存在分裂态与共振态给计算带来的困难。计算得到一氧化碳在hcp(0001)面及fcc(111)面上的吸附结构。
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| 关 键 词： | 格林函数方法 化学吸附 fcc(111)面 hcp(0001)面 |
Indirect Interaction Between CO on Hep(0001)and fcc(111)Surfaces |
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| Wei Shuyi,Dai Xianqi,Zhang Tao. Indirect Interaction Between CO on Hep(0001)and fcc(111)Surfaces[J]. Journal of Henan Normal University(Natural Science), 1993, 21(2): 38-42 |
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| Authors: | Wei Shuyi Dai Xianqi Zhang Tao |
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| Affiliation: | Wei Shuyi;Dai Xianqi;Zhang Tao Department of Physics |
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| Abstract: | The indirect interaction between ad-moleculcs of CO on hcp(0001)and fcc(111)sur-faces is investigated by using Green's function and one electron theory.The tight-binding approximationis employed to model the semi-infinite matel substrates.The technique of complex energy integration isused for avoiding the difficulty due to resonance and spilit off states.The structures of CO monolayeradsorbed on hep(0001)and fcc(111)surfaces are obtained by the relation between the indirect interactionenergies and the relative positions of the ad-molecules. |
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| Keywords: | Green's function mothed chemisorption fcc(111)surfacc hep(0001)surface |
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