QuantumATK在半导体和微电子工业研究中的应用—名企系列论文(4)金属-半导体界面接触电阻

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摘要

文章(APPLIED PHYSICS LETTERS 105, 053511 (2014))使用密度泛函理论和密度泛函紧束缚近似研究了n-Si在[100]方向电阻率下限的理想金属电子结构效应。结果表明,在高掺杂浓度时,“理想金属”假设在某些情况下会失效,因此对n-Si的接触电阻下限至少低估了一个数量级。金属和半导体在横向动量空间的失配,也就是所谓的“谷过滤效应”,对使用的原胞的横向边界情况的细节非常敏感。因此在金属-半导体接触面的电子输运的原子尺度模拟,需要明确所包含的金属原子和电子结构。

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FIG. 1. Cross section structures and transverse momentum-resolved transmission spectra for epitaxial CoSi2 on [100] oriented Si. Part (a) is for the case of [100] oriented CoSi2 unit cell bound by the [010] and [001] directions lattice matched to a [100] oriented Si unit cell bound by the same orientations. Part (b) is for the case of [100] oriented CoSi2 unit cell bound by the [0-11] and [011] directions lattice matched to a [100] oriented Si unit cell bound by the same ori- entations. The transmission spectra are obtained at the Fermi Level for the metal and the semiconductor. The doping in Si is Nd 1⁄4 7 10 20 cm 3, the approxi- mate solid solubility limit of P in Si at annealing temperatures of over 950 C. Lightly colored spheres represent Si, while dark spheres represent Co atoms.

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FIG. 2. Atomic structure and transverse momentum-resolved transmission spectra for the M-S interfaces formed by “coupling” CoSi2 and Si unit cells under the assumptions described above. Due to favorable overlapping of transverse momentum space, it can be seen that the epitaxial interface bounded by the [010] and [001] orientations leaves the transmission spectrum in Si unchanged from its own bulk limit. The interface bound by [0-11] and [011] orientations, how- ever, results in the complete filtering out four out of six Si valleys due to poor overlap between the transverse momentum space of CoSi2 and Si for this unit cell orientation as shown in Figure 1.


参考文献

Effect of realistic metal electronic structure on the lower limit of contact resistivity of epitaxial metal-semiconductor contacts

Ganesh Hegde and R. Chris Bowen

Advanced Logic Lab, Samsung Semiconductor R&D Center, Austin, Texas 78754, USA


参考

更多半导体领域的应用方案和实例见:http://www.fermitech.com.cn/vnl-atk/semiconductor/


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