Origin of Fermi-level depinning at metal/Ge interfaces: first-principles study on effect of segregation
Origin of Fermi-level depinning at metal/Ge interfaces: first-principles study on effect of segregation
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DOI：
10.7567/1347-4065/ab1bd1
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发表时间：
2019-06
影响因子：
1.5
通讯作者：
T. Nishimoto;T. Nakayama
中科院分区：
文献类型：
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作者：
T. Nishimoto;T. Nakayama
为了阐明费米能级（FL）钉扎是如何通过偏析而改变的，我们人工制造了金属/X/Ge（001）界面，其中不同的偏析原子X终止界面Ge原子，并通过第一性原理计算了这些界面处的肖特基势垒。我们发现，分离的II-和III-族原子的FL位置降低，而V-和VI-族原子的FL位置升高的化学趋势。结果表明，这种趋势反映了界面附近的电子转移。
To clarify how the Fermi-level (FL) pinning changes by segregation, we artificially produced metal/X/Ge (001) interfaces with various segregation atoms X that terminate interface Ge atoms and calculate the Schottky barriers at these interfaces by the first-principles calculations. We found the chemical trend that the segregation of II- and III-family atoms lowers the FL position, while that of V- and VI-family atoms raises the FL position. It was shown that such trend reflects the electron transfer around the interface.