Hi All,
I am trying to model the Mg doped GaN used for blue LEDs as a part of my project. At this time, there is no interatomic potential which covers these 3 elements. Howevere, there exists an In-Ga-N MEAM potential.
Can i edit this In-Ga-N MEAM potential and replace the properties for “In” with that of “Mg” and use it for my simulation? Will that give me correct results?
If not, then can someone suggest me how do I develop a new potential file for Mg-Ga-N and use it for my simulation?
Where would you get those parameters?
What do you expect? At any rate, you will have to do thorough tests to confirm that your changes are valid, same as you would need to do with any new potential.
Please study publications that describe new potentials, e.g. the one that you want to modify and learn from them. That is how scientific progress works and that is why people need to write those publications.
I am reading the publications of various MEAM potential files and following the methodology used to create my new potential.
Hi,Has the author solved this problem?
Yes, you can read any published ternary potential and use their methodology to make a potential for your own case. Also verify your potential against experimental values.