I have two different crystal structure and I want to create a heterostructure but the problem is that the shape of their unit cell is different. I know how to combine them if their unit cell are same. Is there anyone who can tell me how to do that? . Thank you very much!
Heterostructure is a material made of two or more different crystal structure materials that are joined together at an interface. However, the formed interface will be different from the characteristics of their parent phases, which can results in new functionality for the heterostructure. Hence, the heterostructures with novel functional properties can be used various practical applications such as transistor, lasers, Schottky diode, etc.
If you have an heterostructure you have different phases separated by an interface. So it is right to have two different crystal structures, not combined. Do you mean instead a solid solution?
i mean , I want calculate 1 heterostructure with 2 different phase by using Quantum Esspresso but I don't know how to create the input file for Quantum Espresso because it have 2 different crystal structure . Thank you Marcella Bini B. Ramachandran
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