Thermodynamics of Energy Models of Semiconductor Devices

Albinus G.

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Thermodynamics of Energy Models of Semiconductor Devices

机译：半导体器件能量模型的热力学

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In the drift-diffusion model the free energy has turned out to be a very useful quantity. H. Gajewski and K. Groeger applied it in the analysis of the transient initial-boundary value problem. Gajewski also used it to control the step width in the time discretization. Considered as a functional of the carrier densities, the free energy is a thermodynamic potential and a convex functional. Both the properties make the free energy be a very attractive quantity. This integral quantity is, moreover, not too sensitive to local variations of either the carrier densities or the electric field. In the case of variable temperature, however, we observed that the free energy is no convex functional.

机译：在漂移扩散模型中，自由能被证明是非常有用的量。 H. Gajewski和K. Groeger将其应用于瞬态初始边界值问题的分析。 Gajewski还使用它来控制时间离散化中的步长。自由能被认为是载流子密度的函数，是热力学势和凸函数。这两个特性使自由能成为非常有吸引力的量。此外，该积分量对载流子密度或电场的局部变化不太敏感。但是，在温度可变的情况下，我们观察到自由能不是凸函数。

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《Zeitschrift fur Angewandte Mathematik und Mechanik》 |1996年第s2期|p.289-292|共4页
作者
Albinus G.;
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1. Thermodynamic design of energy models of semiconductor devices [J] . Albinus G., Gajewski H., Hunlich R. Nonlinearity . 2002,第2期

机译：半导体器件能量模型的热力学设计
2. Thermodynamics of Energy Models of Semiconductor Devices [J] . Albinus G. Zeitschrift fur Angewandte Mathematik und Mechanik . 1996,第s2期

机译：半导体器件能量模型的热力学
3. Physical Modeling of Activation Energy in Organic Semiconductor Devices based on Energy and Momentum Conservations [J] . Ling-Feng Mao, H. Ning, Changjun Hu, Scientific reports. . 2016,第1期

机译：基于能量和动量守恒的有机半导体器件中活化能的物理建模
4. Novel Thermodynamic Approach To A Unified General Model Of Carrier And Energy Transport In Semiconductor Devices [C] . Wachutka, G. . 2001

机译：半导体器件载流子和能量传输统一通用模型的新型热力学方法
5. Variational Thermodynamic Modeling and Experimental Verification of Electrostatic Characteristics of p-n Junction and Complex Metal-Oxide-Semiconductor Devices [D] . Sattar, Md Abdus 2014

机译：p-n结和复杂的金属氧化物半导体器件的静电特性的变化热力学建模和实验验证
6. Physical Modeling of Activation Energy in Organic Semiconductor Devices based on Energy and Momentum Conservations [O] . Ling-Feng Mao, H. Ning, Changjun Hu, -1

机译：基于能量和动量守恒的有机半导体器件中活化能的物理建模
7. The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations itself, is studied by performing Monte Carlo computer simulations using an appropriately chosen thermodynamic cycle and the method of thermodynamic integration. The results show that the mixing of these two components is close to the ideal mixing, as both the energy and entropy of mixing turn out to be rather close to the ideal term in the entire composition range. Concerning the energy of mixing, the OPLS/AA-mod model of formamide behaves in a qualitatively different way than the other models considered. Thus, this model results in negative, while the other ones in positive energy of mixing values in combination with all three water models considered. Experimental data supports this latter behavior. Although the Helmholtz free energy of mixing always turns out to be negative in the entire composition range, the majority of the model combinations tested either show limited miscibility, or, at least, approach the miscibility limit very closely in certain compositions. Concerning both the miscibility and the energy of mixing of these model combinations, we recommend the use of the combination of the CHARMM formamide and TIP4P water models in simulations of water-formamide mixtures. [O] . Kiss, Bálint, Fábián, Balázs, Idrissi, Abdenacer, 2017

机译：通过使用适当选择的热力学循环和热力学积分方法进行蒙特卡罗计算机模拟，研究了将五种甲酰胺模型和三种水模型混合在一起时发生的热力学变化，包括这些模型组合本身的可混溶性。结果表明这两种组分的混合接近于理想的混合，因为混合的能量和熵在整个组成范围内都非常接近理想的项。关于混合的能量，甲酰胺的OPLS / AA-mod模型与其他模型相比，在质量上有不同的表现。因此，该模型得出的结果是负的，而其他模型则综合考虑了所有三个水模型的结果的正能量。实验数据支持后一种行为。尽管混合的亥姆霍兹自由能在整个组成范围内始终为负，但大多数测试模型组合显示出有限的混溶性，或至少非常接近某些组合物的混溶性极限。关于这些模型组合的可混溶性和混合能量，我们建议在水-甲酰胺混合物的模拟中使用CHARMM甲酰胺和TIP4P水模型的组合。
8. Modeling of Quantum Transport in Semiconductor Devices (The Physics and Operation of Ultra-Submicron Length Semiconductor Devices). [R] . Ferry, D. K., Grubin, H. L. 1994

机译：半导体器件中量子输运的建模（超亚微米长半导体器件的物理和操作）。

Thermodynamics of Energy Models of Semiconductor Devices

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