Martinez Antonio, Barker John R
College of Engineering, Swansea University, Engineering East, Fabian Way, Crymlyn Burroughs, Swansea SA1 8EN, UK.
James Watt School of Engineering, College of Science and Engineering, University of Glasgow, Glasgow G12 8LT, Scotland, UK.
Materials (Basel). 2020 Jul 26;13(15):3326. doi: 10.3390/ma13153326.
A review and perspective is presented of the classical, semiclassical and fully quantum routes to the simulation of electrothermal phenomena in ultrascaled silicon nanowire fieldeffect transistors. It is shown that the physics of ultrascaled devices requires at least a coupled electron quantum transport semiclassical heat equation model outlined here. The importance of the local density of states (LDOS) is discussed from classical to fully quantum versions. It is shown that the minimal quantum approach requires selfconsistency with the Poisson equation and that the electronic LDOS must be determined within at least the selfconsistent Born approximation. To bring in this description and to provide the energy resolved local carrier distributions it is necessary to adopt the nonequilibrium Green function (NEGF) formalism, briefly surveyed here. The NEGF approach describes quantum coherent and dissipative transport, Pauli exclusion and nonequilibrium conditions inside the device. There are two extremes of NEGF used in the community. The most fundamental is based on coupled equations for the Green functions electrons and phonons that are computed at the atomically resolved level within the nanowire channel and into the surrounding device structure using a tight binding Hamiltonian. It has the advantage of treating both the nonequilibrium heat flow within the electron and phonon systems even when the phonon energy distributions are not described by a temperature model. The disadvantage is the grand challenge level of computational complexity. The second approach, that we focus on here, is more useful for fast multiple simulations of devices important for TCAD (Technology Computer Aided Design). It retains the fundamental quantum transport model for the electrons but subsumes the description of the energy distribution of the local phonon subsystem statistics into a semiclassical Fourier heat equation that is sourced by the local heat dissipation from the electron system. It is shown that this selfconsistent approach retains the salient features of the fullscale approach. For focus, we outline our electrothermal simulations for a typical narrow Si nanowire gate allaround fieldeffect transistor. The selfconsistent Born approximation is used to describe electronphonon scattering as the source of heat dissipation to the lattice. We calculated the effect of the device selfheating on the current voltage characteristics. Our fast and simpler methodology closely reproduces the results of a more fundamental computeintensive calculations in which the phonon system is treated on the same footing as the electron system. We computed the local power dissipation and "local lattice temperature" profiles. We compared the selfheating using hot electron heating and the Joule heating, i.e., assuming the electron system was in local equilibrium with the potential. Our simulations show that at low bias the source region of the device has a tendency to cool down for the case of the hot electron heating but not for the case of Joule heating. Our methodology opens the possibility of studying thermoelectricity at nanoscales in an accurate and computationally efficient way. At nanoscales, coherence and hot electrons play a major role. It was found that the overall behaviour of the electron system is dominated by the local density of states and the scattering rate. Electrons leaving the simulated drain region were found to be far from equilibrium.
本文对超尺度硅纳米线场效应晶体管中电热现象模拟的经典、半经典和全量子方法进行了综述并给出了展望。结果表明,超尺度器件的物理特性至少需要这里概述的耦合电子量子输运半经典热方程模型。从经典到全量子版本讨论了局域态密度(LDOS)的重要性。结果表明,最小量子方法需要与泊松方程自洽,并且电子LDOS必须至少在自洽玻恩近似内确定。为了引入这种描述并提供能量分辨的局部载流子分布,有必要采用非平衡格林函数(NEGF)形式,这里对此进行简要概述。NEGF方法描述了器件内部的量子相干和耗散输运、泡利不相容原理和非平衡条件。该领域使用的NEGF有两种极端情况。最基本的是基于格林函数电子和声子的耦合方程,这些方程在纳米线通道内以及使用紧束缚哈密顿量进入周围器件结构的原子分辨水平上进行计算。它的优点是即使声子能量分布不由温度模型描述时,也能处理电子和声子系统内的非平衡热流。缺点是计算复杂度极高。我们这里关注的第二种方法对于对技术计算机辅助设计(TCAD)重要的器件的快速多次模拟更有用。它保留了电子的基本量子输运模型,但将局部声子子系统统计的能量分布描述纳入由电子系统的局部热耗散作为源项的半经典傅里叶热方程中。结果表明,这种自洽方法保留了全尺度方法的显著特征。为了突出重点,我们概述了对典型窄硅纳米线全栅场效应晶体管的电热模拟。自洽玻恩近似用于将电子 - 声子散射描述为向晶格的热耗散源。我们计算了器件自热对电流 - 电压特性的影响。我们快速且更简单的方法紧密再现了更基本的计算密集型计算结果,在该计算中声子系统与电子系统同等对待。我们计算了局部功耗和“局部晶格温度”分布。我们比较了使用热电子加热和焦耳加热时的自热情况,即假设电子系统与电势处于局部平衡。我们的模拟表明,在低偏置下,对于热电子加热情况,器件的源区有冷却趋势,而对于焦耳加热情况则没有。我们的方法为以准确且计算高效的方式研究纳米尺度的热电性开辟了可能性。在纳米尺度,相干性和热电子起主要作用。发现电子系统的整体行为由局域态密度和散射率主导。发现离开模拟漏极区域的电子远非平衡态。