MULTIBAND TRANSPORT IN SEMICONDUCTORS


General Considerations

The Wigner-function approach to quantum electron transport in semiconductors is widely used to describe the properties of electronic devices such as the Resonant Tunneling Diode (RTD) and others. By making use of phase space concepts, it presents a close analogy to the classical Boltzmann-equation approach; this has the advantage that many of the analytical and numerical techniques commonly used for the Boltzmann equation can be adapted to the Wigner function. In particular, the numerical complexity of other quantum statistical approaches to electron transport, such as the density-matrix approach and the Green's-function approach, is significantly reduced in the kinetic models that make use of the Wigner function. Also, when dealing with space dependent problems in finite domains, it is always difficult to devise the correct boundary conditions to be imposed; because of the analogy with the classical Boltzmann equation, this difficulty is more easily overcome with the Wigner-function approach, since one can rely on imposing classical boundary conditions in a region sufficiently far from the quantum region, where classical effects dominate. Also, adding collisions to the model equations that govern the evolution of the Wigner function is less complicated than including collisions into the other statistical models of quantum transport.

All existing transport models for semiconductors based on the Wigner function, however, rely on the following two approximations: 1) that only single-conduction-band electrons contribute to the current flow, and 2) that only a small region of the Brillouin zone near the minimum of the band is populated, leading to the parabolic band approximation. Under these conditions, conduction electrons can be considered as semiclassical particles having an effective mass related to the curvature of the energy band function near the minimum. The evolution equation for the Wigner function of the conduction electrons then becomes the evolution equation for free particles with an effective mass. This allows the inclusion of any fields (barriers or bias) by means of the standard pseudodifferential operator. In the case of devices in which interband transitions or non-parabolicity effects may occur, the single-band, effective mass approximation is not satisfactory. A correctly defined Wigner function for these phenomena should include the populations of all bands involved in the transport processes and the evolution equation that governs the time dependence of the Wigner function should take into account possible non-parabolicity effects.

Results


In these papers, we remove the single-band approximation and the parabolic band approximation, by introducing a Wigner function which describes the populations of all energy bands and derive an evolution equation which allows for energy bands of any shape. This is accomplished by using the Bloch-state representation of the density matrix in the definition of the Wigner function. The resulting equations provide an exact model for the description of collisionless electron transport in semiconductors without the single-band and the effective mass approximations. We also discuss the derivation of the effective mass approximation starting from the exact equations. Some simple numerical simulations are presented: the time evolution of a wave packet (a) under the action of a constant external field in a space-homogeneous semiconductor and (b) in absence of external fields and in presence of a non-parabolic band profile; a non-parabolic band profile is considered and the effective-mass solution is compared numerically with the exact solution in absence of external fields. Intervalley transitions have also been studied, by looking atthe time evolution of the Wigner function of an ensemble of electrons moving in a semiconductor under the action of an external field, in presence of a non-parabolic band profile and of two collisional mechanisms, polar optical and intervalley phonon scattering. More realistic simulations of semiconductors and semiconductor devices require the overcoming of rather complex numerical problems and are under study.
 
  1. L. Demeio, P. Bordone and C. Jacoboni Numerical simulation of an intervalley transition by the Wigner-function approach, Semiconductor Science and Technology,19, 1-3 (2004).
  2. L. Demeio, Splitting-scheme Solution of the Collisionless Wigner Equation with Non-Parabolic Band Profile,Journal of Computational Electronics, 2, 319-322 (2003).
  3. L. Demeio, P. Bordone and C. Jacoboni, Multi-band, non-parabolic Wigner-function approach to electron transport in semiconductors, Internal Report, Quaderno N. 3/2003, Dipartimento di Scienze Matematiche, Universita' Politecnica delle Marche. Submitted to the Journal of Physics: Condensed Matter.
  4. L. Demeio, P. Bordone and C. Jacoboni, Numerical and analytical applications of multiband transport in semiconductors, Proc. XXIII Symposium on Rarefied Gas Dynamics, Whistler, BC, Canada, July 20-25, 2002.
  5. L. Barletti, L. Demeio, Wigner-function approach to multiband transport in semiconductor devices, Proc. VI Congresso Nazionale SIMAI, Chia Laguna (CA-Italy) May 27 - 31, 2002.
  6. L. Demeio, L. Barletti, A. Bertoni, P. Bordone and C. Jacoboni, Wigner-function approach to multiband transport in semiconductors, Physica B, 314 , 104-107 (2002).
  7. L. Demeio, L. Barletti, P. Bordone and C. Jacoboni, Wigner function for multiband transport in semiconductors, Transport Theory and Statistical Physics, 32 (3-4), 321-339 (2003).

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