Analytic structure of Bloch functions for linear molecular chains
Prodan, E.
arXiv, 0510446 / Harvested from arXiv
This paper deals with Hamiltonians of the form $H=-{\bf \nabla}^2+v(\rr)$, with $v(\rr)$ periodic along the $z$ direction, $v(x,y,z+b)=v(x,y,z)$. The wavefunctions of $H$ are the well known Bloch functions $\psi_{n,\lambda}(\rr)$, with the fundamental property $\psi_{n,\lambda}(x,y,z+b)=\lambda \psi_{n,\lambda}(x,y,z)$ and $\partial_z\psi_{n,\lambda}(x,y,z+b)=\lambda \partial_z\psi_{n,\lambda}(x,y,z)$. We give the generic analytic structure (i.e. the Riemann surface) of $\psi_{n,\lambda}(\rr)$ and their corresponding energy, $E_n(\lambda)$, as functions of $\lambda$. We show that $E_n(\lambda)$ and $\psi_{n,\lambda}(x,y,z)$ are different branches of two multi-valued analytic functions, $E(\lambda)$ and $\psi_\lambda(x,y,z)$, with an essential singularity at $\lambda=0$ and additional branch points, which are generically of order 1 and 3, respectively. We show where these branch points come from, how they move when we change the potential and how to estimate their location. Based on these results, we give two applications: a compact expression of the Green's function and a discussion of the asymptotic behavior of the density matrix for insulating molecular chains.
Publié le : 2005-10-17
Classification:  Condensed Matter - Other Condensed Matter,  Condensed Matter - Materials Science,  Mathematical Physics
@article{0510446,
     author = {Prodan, E.},
     title = {Analytic structure of Bloch functions for linear molecular chains},
     journal = {arXiv},
     volume = {2005},
     number = {0},
     year = {2005},
     language = {en},
     url = {http://dml.mathdoc.fr/item/0510446}
}
Prodan, E. Analytic structure of Bloch functions for linear molecular chains. arXiv, Tome 2005 (2005) no. 0, . http://gdmltest.u-ga.fr/item/0510446/