4.5  Boundary Conditions

There are at least three possible choices of boundary conditions. Systematic research was, for example, conducted in this area by  [990], where all kinds of conditions, such as

γ = f Dirichlet, (4.25)
∂γ
---
∂d = f von Neumann and (4.26)
αγ + β∂γ-
∂d = f Robin (4.27)
boundary conditions have been tested, where d is the normal vector of the oxide semiconductor interface, α, β and f need to be reasonably chosen. At the boundaries of the device or semiconductor segments which do not border to an insulator segment Dirichlet conditions with γn = γp = 0, have always been employed throughout the literature. Whereas various types of boundary conditions at semiconductor-insulator interfaces have been tested, including Dirichlet, von Neuman and Robin conditions. It is necessary to find boundary conditions for semiconductor-insulator interfaces with which it is possible to correct the electrostatic potential such, that the carrier concentrations calculated by the transport model yield the same as predicted by the Schrödinger equation (cf. Section 2.6). It was shown that Robin boundary conditions prove to be the best choice at semiconductor-insulator interfaces, since they allow the best fit with the carrier concentration obtained from a solution of the Schrödinger equation  [90]. Subsequently Robin boundary conditions at semiconductor-insulator interfaces for Equation (4.2) are used throughout this thesis (cf. Figure 4.2). However, it was found on  [91] that upon solving Equation (4.2) for insulator segments too, it has been suggested that it is possible to assess direct tunneling. Nevertheless, in the course of this thesis this feature of the DG model was not used since a more powerful technique, namely NEGF, is available to assess direct tunneling currents through oxides in MOS structures.

PIC

Figure 4.2: The boundary conditions applied for density gradient in a 2D MOS structure. The Dirichlet conditions, where the correction potential vanishes, are drawn in green. If tunneling is not considered, Robin conditions are used at the interface (shown in red). In case tunneling is assessed using density gradient, the Robin condition is replaced by a Dirichlet condition (termed Tunneling in the graph) at the insulator-gate interface.