- #1
janakiraman
- 45
- 0
Hi
Well I have been thinking of this quite sometime, but i really dint know anyone who could answer my question. We all know that may elements exist in the form of crystals e.g. Si, Cu etc. And they have very specific crystal structure like Diamond for Si and face centered for Cu. Can we prove from first principles of quantum mechanics like DFT or some other techniques that only these are the most favorable crystal structure for a particular element? If so can any of you provide me links to the research works that have been done in this field
Thanks
janakiraman
Well I have been thinking of this quite sometime, but i really dint know anyone who could answer my question. We all know that may elements exist in the form of crystals e.g. Si, Cu etc. And they have very specific crystal structure like Diamond for Si and face centered for Cu. Can we prove from first principles of quantum mechanics like DFT or some other techniques that only these are the most favorable crystal structure for a particular element? If so can any of you provide me links to the research works that have been done in this field
Thanks
janakiraman