Is it feasible, for example, to alloy two compounds, say FeAs and CdTe, for computational purposes? I'm looking for ideas.
Dear friend Kunsa Haho
Doping, composite, and alloying are three different techniques that are used to modify the properties of materials. Here are the definitions of each:
The boundary between these techniques is not always clear-cut, as there can be some overlap between them. For example, a composite material could be made by combining two different alloys. However, the main difference is that doping is typically used to modify the properties of a single material, while composites and alloys involve the combination of multiple materials.
Regarding your question about alloying in DFT, yes, alloying is possible in DFT. In fact, DFT calculations are commonly used to study the properties of alloys and predict their behavior under different conditions.
As for your idea of alloying FeAs and CdTe for computational purposes, it is feasible in principle, but it would depend on the specific properties you are interested in studying. You would need to perform DFT calculations to determine the stability and properties of the alloy and compare them to those of the individual compounds.
Doping is a form of alloying. All doped element or compound forms alloy
alloying is possible with DFT
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