C. Wasshuber, H. Kosina and S. Selberherr: Single-Electron Device and Circuit Simulation
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3 Simulating Co-tunneling


3.1 The Co-tunnel Effect

The co-tunnel effect is a quantum mechanical effect which allows electrons to tunnel via an intermediate virtual state, where normal tunneling would be impossible, or due to missing thermal energy very unlikely (see Fig. 3).

 


Figure 3: Co-tunneling via a virtual intermediate state.

An electron can not tunnel directly from jail to ocean. Also a normal tunneling from jail to top is impossible because of missing thermal energy. Nevertheless, an electron will escape to ocean via an intermediate virtual state. One could also picture this process in the following simplified way. An electron starting at jail overcomes the energy difference to top for a very short time allowed by Heisenberg's uncertainty principle. If a different electron from top tunnels in the same very short time to ocean, then overall an electron escaped from jail to ocean. This process is called the inelastic co-tunnel effect. There is another usually negligible process, which is called elastic co-tunneling, where the same electron that tunneled first from jail to top, tunnels further to ocean. In this case the phase of the electron is preserved, which makes elastic co-tunneling a coherent process. Elastic co-tunneling strongly depends on the internal structure of the island. Usually inelastic co-tunneling is dominant in comparison to elastic co-tunneling except at very small bias voltages and temperatures or very low energy state densities in the quantum dot [16].

The rate of second order inelastic co-tunneling can be written as [2] [3]

equation28

where tex2html_wrap_inline204 represents the tunneling amplitude through barrier i, tex2html_wrap_inline208 is the change in energy of the system for a tunnel event through barrier i, and tex2html_wrap_inline212 and tex2html_wrap_inline214 are the initial and final energies of the system. A description of rate formulas of higher order co-tunneling and a good approximation for the rate formulas can be found in L. Fonseca et al. [11]. Fonseca et al. study the electron trap and show that co-tunneling is a major source of errors at temperatures with thermal energies considerably lower than the characteristic Coulomb blockade energy. Since single-electron devices have to be operated at temperatures low enough for a clearly pronounced Coulomb blockade, co-tunneling is the dominating error source.

3.2 The Problem of Simulating Very Rare Events

We are addressing here not the problem of how to calculate the co-tunnel rate of a specific tunnel event, but the difficulty in resolving the very rare co-tunnel events against a background of much more frequent normal tunnel events in an arbitrary single-electron circuit. A co-tunnel event has a very rare occurrence compared to a normal tunnel event, because its rate scales with tex2html_wrap_inline216 , with n as the order of co-tunneling. Thus, it poses a formidable problem for a MC based simulator to resolve such rare events. Standard variance reducing techniques don't work, because in a typical MC simulation run (consisting for example of a million tunnel events) rare tunnel events are very likely not even happening once (because they happen for example one in a billion). And therefore the trajectory splitting or multiplying scheme will not trigger at all. Thus new algorithms have to be applied in order to simulate co-tunneling with a MC method.

The usual approach to overcome the rare tunnel event problem is to use a ME method instead of a MC method, as was done by Fonseca et al. [11]. The master equation is given by

  equation40

where tex2html_wrap_inline220 is the tunnel rate between states i and j, and tex2html_wrap_inline226 is the occupation probability of state i. Although the ME gives theoretically accurate results even for very rare tunnel events, it has many other impracticabilities that limit its accuracy and usability. The starting point of the ME is the set of all relevant states a circuit will occupy during operation. There is no straightforward way to obtain this set. In order to achieve the desired simulation goal one has to include many more states than would be relevant, which results in extremely long simulation times and sometimes bad numerical stability. On the other side a MC method allows an easy trade-off between accuracy and simulation time. Thus one can achieve quick approximate results of very large circuits, which would otherwise not be feasible to compute. Hence our desire was to stick with the MC method profiting from its advantages, but on the other side being able to simulate co-tunneling better than with the brute force method where so many tunnel events are simulated that enough rare events are among them. Anyway the brute force method is often because of extremely long simulation times not possible.

3.3 Combining MC with Direct Calculation

We have combined the MC method and a direct calculation scheme which is equivalent to the solution of the stationary ME. Consider all possible states as divided into two subspaces, the frequent state space and the rare state space, as shown in Fig. 4.

  State Space Partition
Figure 4: Partition of the state space into a frequent and a rare state domain.

The MC part simulates only the frequent state space, which gives the occupation probabilities of frequent states. The occupation probability is calculated as the ratio of time spent in state i to the total simulation time .


is the solution to the stationary ME for the frequent states. Instead of waiting for the MC simulator to step into the rare state space, which would result in impractically long simulation times, we directly calculate the contribution of events leading to rare states by stepping through the event tree (see Fig. 5) starting at frequent states.

 
Figure 5: Direct calculation of the contribution of rare states and events by stepping through the event tree. Solid arrows mark transitions that are considered for the direct calculation part.


The essential assumption is that the rare states cause only a small perturbation to the frequent state probabilities.


where is the time spent in the rare state j, which can be directly calculated from the stationary ME.


is the number of times the rare state j would be in average visited from state i, is the exit rate of state j and thus is the average time spent in state j for one visit. We are using time averages for the direct calculation. Actually the durations are distributed with a Poisson distribution. However, the direct calculated rare state space is only a small perturbation to the frequent state space which is calculated with a MC method where the Poisson distribution of the tunnel durations is fully incorporated. The occupation probability for a rare state is therefore


The algorithm follows all possible events starting at frequent states. If a frequent state is encountered the algorithm terminates that branch, because the state probability is already known. Once the probability of a state is lower than a predefined limit no further descent into following branches from this state is made (see Fig. 5).


next up previous
Next: 4 Application - Electron Trap Up: Abstract Previous: 2 The Simulator
C. Wasshuber, H. Kosina and S. Selberherr: Single-Electron Device and Circuit Simulation