An energy-transport model for semiconductors derived from the Boltzmann equation

An energy-transport model is rigorously derived from the Boltzmann transport equation of semiconductors under the hypothesis that the energy gain or loss of the electrons by the phonon collisions is weak. Retaining at leading order electron-electron collisions and elastic collisions (i.e., impurity scattering and the elastic part of phonon collisions), a rigorous diffusion limit of the Boltzmann equation can be carried over, which leads to a set of diffusion equations for the electron density and temperature. The derivation is given in both the degenerate and nondegenerate cases.     

电导有效质量mσ*及半导体电子的自由粒子性质

通过对半导体材料硅电子电导有效质量公式的推导和阐释，说明半导体电子的自由粒子性质     

有机二极管基于通用迁移率模型的解析电流电压关系

提出一种有机半导体二极管电流电压关系的解析表达式。该表达式是基于Pasveer 等人[Phys. Rev. Lett. 94, 206601 (2005)]的迁移率模型建立的,其中考虑了影响有机半导体载流子输运最重要的因素,包括温度、载流子浓度和电场强度。将Pasveer等人迁移率公式中的载流子浓度和电场强度用常数迁移率下严格解计算的平均值代入,然后将得到的迁移率取代Mott-Gurney电流电压关系中的常数迁移率从而得到解析电流电压表达式。将新解析表达式应用于三种材料制作的有机二极管,计算结果与实验数据符合很好,表明解析表达式是合理的。     

有机二极管基于通用迁移率模型的解析电流电压关系

提出一种有机半导体二极管电流电压关系的解析表达式.该表达式是基于Pasveer等人[Phys.Rev.Lett.94,206601 (2005)]的迁移率模型建立的,其中考虑了影响有机半导体载流子输运最重要的因素,包括温度、载流子浓度和电场强度.将Pasveer等人迁移率公式中的载流子浓度和电场强度用常数迁移率下严格解...     

Group velocity matters for accurate prediction of phonon-limited carrier mobility

First-principles approaches have recently been developed to replace the phenomenological modeling approaches with adjustable parameters for calculating carrier mobilities in semiconductors. However, in addition to the high computational cost, it is still a challenge to obtain accurate mobility for carriers with a complex band structure, e.g., hole mobility in common semiconductors. Here, we present a computationally efficient approach using isotropic and parabolic bands to approximate the anisotropy valence bands for evaluating group velocities in the first-principles calculations. This treatment greatly reduces the computational cost in two ways: relieves the requirement of an extremely dense κ mesh to obtain a smooth change in group velocity, and reduces the 5-dimensional integral to 3-dimensional integral. Taking Si and SiC as two examples, we find that this simplified approach reproduces the full first-principles calculation for mobility. If we use experimental effective masses to evaluate the group velocity, we can obtain hole mobility in excellent agreement with experimental data over a wide temperature range. These findings shed light on how to improve the first-principles calculations towards predictive carrier mobility in high accuracy.