Author Topic: Complex bandstructure of SiGe  (Read 2440 times)

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Offline Vishal Tiwari

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Complex bandstructure of SiGe
« on: January 30, 2015, 15:54 »
I would like to plot complex bandstructure of SiGe for different Ge content. However, I don't see SiGe in the material database. Can we define this material. How?

Also,how can I define more recent basis sets such as Klimeck et. al., instead of the current ones (Bassis, Vogl)?

Offline zh

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Re: Complex bandstructure of SiGe
« Reply #1 on: February 3, 2015, 01:46 »
For your first question, you needs simulate the structure of SiGe alloy by yourself,  because the structure of SiGe alloy isn't well defined. For example, randomly replace some of Si atoms in the silicon structure by the Ge atoms, or more complicated process is to use the cluster expansion method (as implemented in the ATAT package: http://www.brown.edu/Departments/Engineering/Labs/avdw/atat/).