应变、厚度和局部表面环境对氧封端铜薄膜电子输运特性的影响
Effect of strain, thickness, and local surface environment on electron transport properties of oxygen-terminated copper thin films
摘要：
采用密度泛函理论和密度泛函紧束缚方法研究了厚度为5.6 nm的表面氧化单晶铜薄膜的电子输运特性，确定了其在弹道范围内的电子输运特性.的变化的电子传输作为膜厚度的函数，以及不同的贡献作为深度的函数到膜的整体电子传输进行检查。发现在氧化铜膜表面的透射率普遍较低。厚度大于2.7 nm的膜在每单位面积的局部透射率方面随着离膜表面的深度表现出类似的行为;每单位面积的透射率最初快速增加，然后在离表面约0.35-0.5 nm的深度处达到平台，这取决于表面小面。未应变的膜倾向于表现出比拉伸应变下的相应膜更高的每单位面积透射率。
英文摘要：
Electron transport is studied in surface oxidized single-crystal copper thin films with a thickness of up to 5.6 nm by applying density functional theory and density functional tight binding methods to determine electron transport properties within the ballistic regime. The variation of the electron transmission as a function of film thickness as well as the different contributions to the overall electron transmission as a function of depth into the the films is examined. Transmission at the oxidized copper film surfaces is found to be universally low. Films with thickness greater than 2.7 nm exhibit a similar behavior in local transmission per unit area with depth from the film surface; transmission per unit area initially increases rapidly and then plateaus at a depth of approximately 0.35-0.5 nm away from the surface, dependent on surface facet. Unstrained films tend to exhibit a higher transmission per unit area than corresponding films under tensile strain.
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