Multi-scale simulations of a Mo/ n + -GaAs Schottky contact for nano-scale III-V MOSFETs
Multi-scale simulations of a Mo/ n + -GaAs Schottky contact for nano-scale III-V MOSFETs
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纳米级 III-V MOSFET 的 Mo/ n -GaAs 肖特基接触的多尺度模拟
DOI：
10.1088/0268-1242/29/5/054003
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发表时间：
2014
影响因子：
1.9
通讯作者：
Aldegunde M
中科院分区：
文献类型：
--
作者：
Aldegunde M
通过耦合从头计算与三维有限元系综Monte Carlo模拟的电子输运通过金属-半导体界面的多尺度建模进行。对Mo/GaAs结构的研究结果表明，金属对半导体电子性质的影响随离界面距离的不同而不同。将这种变化引入蒙特卡罗模拟会强烈影响系统的传输特性。我们发现，在一个原子突变接口的情况下，在电子性质的变化是在一个足够大的规模，处理的接口，突然在运输模拟是无效的。特别是，界面附近的带隙变窄使界面电阻率比理想肖特基接触的计算值降低了一个数量级以上：从2.1× 10− 8 Ω cm 2到4.7× 10− 10 Ω cm 2。电子有效质量与到界面距离的关系也起着重要的作用，使电阻率达到7.9× 10− 10 Ω cm 2。
Multi-scale modelling of the electron transport via a metal–semiconductor interface is carried out by coupling ab initio calculations with three-dimensional finite element ensemble Monte Carlo simulations. The results for the studied Mo/GaAs structure show that the metal's effect on the electronic properties of the semiconductor varies with the distance from the interface. Introducing this variation into Monte Carlo simulations strongly impacts the resultant transport characteristics of the system. We find that, in the case of an atomically abrupt interface, the variation in the electronic properties is on a large enough scale that treating the interface as abrupt in transport simulations is invalid. In particular, the band gap narrowing near the interface lowers the interface resistivity by more than one order of magnitude with respect to that calculated for the idealized Schottky contact: from 2.1× 10− 8 to 4.7× 10− 10 Ω cm 2. The dependence of the electron effective mass from the distance to the interface also plays an important role bringing the resistivity to 7.9× 10− 10 Ω cm 2.