Saturday, 28 September 2019

quantum mechanics - Bloch wave function orthonormality?


there is this text book that is giving me a hard time for a while now:


It shows that Bloch wave functions can be written as Ψnk(r)=1Veikrunk(r),

which is fine to me. It also states that the Bloch factors unk(r) may be orthonormalized on the (primitive) unit cell volume VUC: 1VUCVUCd3runk(r)unk(r)=δnn
.


However, and here starts my problem, it then concludes that therefore, the Bloch functions Ψnk(r) fulfill Vd3rΨnk(r)Ψnk(r)=

=1VRVUC(R)d3reik(R+r)unk(R+r)eik(R+r)unk(R+r)=
=1NRei(kk)R1VUCVUCd3runk(r)unk(r)=
=δkkδnn
with lattice vectors R and crystal volume V=NVUC.



But I just don't get the last two lines. I mean, the integral in the second last line actually should read VUCd3rei(kk)runk(r)unk(r), shouldn't it? And, if that is true and I didn't miss something important already, I can't understand how that would yield these two δs ...


I'm almost sure I missed something, but I just desperately keep fail getting it, so any help would be greatly appreciated!


EDIT


Thank you very much for your reactions! However, it seems I failed to state my problem clear enough, so I figured it might be best to tell you what my approach so far was step by step so may be someone can see where I actually go wrong:


Starting with Vd3rΨnk(r)Ψnk(r),

I partitioned the integration domain V=NVCU, thus getting a sum of integrations over the unit cell volume, yielding RVUCd3rΨnk(r+R)Ψnk(r+R),
which happens to be exactly the second line when exploiting Ψnk(r)=1Veikrunk(r). I then proceeded using Ψ(r+R)=eikRΨ(r). But this yields Rei(kk)RVUCd3rΨnk(r)Ψnk(r)
which disagrees with the third line in the book where the integral is over the Bloch factors unk(r) only.


However even assuming this is just a typo (which I'm not so sure of ...), I would be confronted with the integral VUCd3rei(kk)runk(r)unk(r) and I can't see how those two δs would arise from that either.


Thank you all again for your reactions and I hope I know actually stated my problem clearly.



Answer



Let IRei(kk)RVUCd3rΨnk(r)Ψnk(r)


The term Rei(kk)R gives you a δ(kk) term.



Now, you have : Ψnk(r)Ψnk(r)δ(kk)ei(kk).runk(r)unk(r)δ(kk)


Now, with the δ(kk) term, ei(kk).r becomes 1.


So you have :


Ψnk(r)Ψnk(r)δ(kk)=unk(r)unk(r)δ(kk)


where we have replaced k by k, in the indice of unk.


So, finally, after integration on r, we get :


Iδnnδ(kk)


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