The question has been asked a couple of days ago at https://physics.stackexchange.com/questions/455122/calculation-of-free-energy-for-bloch-electrons
So please excuse me if you have seen it there. Below is the question.
The question is based on Eq. 6-9 in this paper https://arxiv.org/abs/0704.3824
Basically the free energy is defined as
K(r)=∑nkfnkRe{ψ∗nk(r)ˆKψnk(r)}
where ˆK=ˆH−μˆN is the free energy operator. I will omit the summation and Fermi-Dirac distribution below.
Immediately the question is why we need the real part at all because that looks real by definition. So I went on to calculate the part with minimal coupling as given by Eq. 6-7 in the paper
⟨ψnk(r)|e2q(ˆvxsinqy+sinqyˆvx)|ψnk(r)⟩=e4iq⟨unk(r)|e−ik⋅r(ˆvx(eiqy−e−iqy)+(eiqy−e−iqy)ˆvx)eik⋅r|unk(r)⟩=e4iq⟨unk(r)|eiqy(vx(k+q)+vx(k))−e−iqy(vx(k−q)+vx(k))|unk(r)⟩
Here ˆvx is the velocity operator ( in the differential sense) with eik⋅rˆvxe−ik⋅r=vx(k) being the velocity operator ( in the matrix sense ) in the Bloch bands. We understand that k±q in vx(k±q) means (kx,ky±qy,kz). The expression will be real iff vx(k+q)=vx(k−q) which is in general not true. So my question is what is wrong with the above calculation?
Another related question would be the second line in Eq. 8. Can we make the following simplification?
fnkRe{⟨δψnk(r)|ˆK0|ψnk(r)⟩+⟨ψnk(r)|ˆK0|δψnk(r)⟩}=2fnkRe⟨ψnk(r)|ˆK0|δψnk(r)⟩
where I just take the hermitian conjugation for the first term. Is it legitimate?