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4.3.2 Clustering and Precipitation

  If dopant concentrations above the solubility are introduced into the crystal lattice, a portion of the diffused atoms appears to be electrically inactive at room temperature. This phenomenon is related to cluster and precipitation formation (see Section 3.1.5). As dopant concentrations above the solubility limit are common in todays technologies, we have to take into account the clustering phenomenon for the simulation of the dopant diffusion. The clustering model of PROMIS-NT is based on Tsai's clustering model [Tsa80]. It is assumed that a certain number of dopant atoms tex2html_wrap_inline5143 combine with tex2html_wrap_inline5145 electrons to form a cluster. These clusters are immobile and therefore the diffusivity in the high concentration region is vanishing. The total dopant concentration tex2html_wrap_inline5147 is divided into a mobile active tex2html_wrap_inline5149 and a immobile clustered tex2html_wrap_inline5151 part. Once the clusters are formed, they are not preserved during the diffusion process. There is an exchange between the active and clustered species during the transient diffusion process. In the case of thermal equilibrium this exchange process is referred to as static clustering, and as dynamic clustering otherwise. Based on rate equation (3.1-33) and the law of mass action, the exchange rate of dopants due to dynamic clustering tex2html_wrap_inline5153 can be expressed by (4.3-12), where tex2html_wrap_inline5155 and tex2html_wrap_inline5157 are the clustering and declustering rate, respectively.

  equation987

The net active concentration tex2html_wrap_inline4805 is given by (4.3-13), where the charge state for the clustered species reads tex2html_wrap_inline5161 . The according electron concentration n and the electric field are given in (4.3-14) and (4.3-15), respecively.

    eqnarray1000

The dynamic clustering diffusion system for the immobile ( tex2html_wrap_inline5165 ) and the mobile dopants is then given by (4.3-16) and (4.3-17), respectively, where the diffusion flux of the active dopants is given by a field enhancement model.

   eqnarray1019

If the cluster formation takes place under thermal equilibrium ( tex2html_wrap_inline5167 ), we can define the equilibrium clustering rate tex2html_wrap_inline5169 with a mass action law to

  equation1033

where the carrier concentration n is determined by (4.3-13). Therefore, the total dopant concentration tex2html_wrap_inline5147 can be expressed as given by (4.3-19).

  equation1042

After scaling of (4.3-19) to the solubility limit of the dopant tex2html_wrap_inline5175 and further approximations using an artificial clustering factor tex2html_wrap_inline5177 , we get the static clustering relation for the dopant as depicted in (4.3-20).

  equation1055

Finally, the static clustering diffusion system for the dopant tex2html_wrap_inline5123 reads to (4.3-21), where the clustering kinetics is considered by the active concentration used as diffusing species instead of the total ones.

  equation1067

The electric field is calculated as previously shown in (4.3-15), where tex2html_wrap_inline5151 is substituted by tex2html_wrap_inline5183 . As the clustering reaction is in equilibrium for the static clustering model the solubility limit is fixed during the whole diffusion process. On the contrary, the dynamic clustering model allows temporary variations of the effective solubility limit. The static clustering model benefits by its easy implementation and the fact that it needs no additional cluster equation to solve. Within PROMIS-NT the static clustering model is implemented by an additional diffusion current model, which automatically corrects the net doping according to clustering conditions.




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Next: Model Parameters Up: 4.3 Diffusion Model Library Previous: Model Parameters

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