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Q2/1: Quantum field theory and simulation of condensed matter

Principal Investigators: Bechstedt, Gies

The quantum field theoritical description and simulation of electrical, magnetic and optical properties of nano structures shall be realized. In particular, quantum transportation on molecular length scales as well as molecular magnets are modelized. The thereby occuring influence on fermionic fields by excitation of and/or coupling to bosonic fields shall be investigated analytically as well as numerically, with special consideration of boundary conditions and spin degrees of freedom.

further information (german)


Examples of Ph.D. topics


  1. Simulation of quantum transportation on molecular length scales
  2. Consequences of spin-orbit interaction and electronical confinement on excitation properties
  3. Quantum theory and ab-initio modelling of molecular magnets


Publications


B. Oetzel, F. Ortmann, L. Matthes, F. Tandetzky, F. Bechstedt, K. Hannewald
Large bandwidths in synthetic one-dimensional stacks of biological molecules
Phys. Rev. B 86, 195407 (2012)



A. Schrön, C. Rödl, F. Bechstedt
Energetic stability and magnetic properties of MnO in the rocksalt, wurtzite, and zinc-blende structures: Influence of exchange and correlation
Phys. Rev. B 82, 165109 (2010)



U. Treske, F. Ortmann, B. Oetzel, K. Hannewald, F. Bechstedt
Electronic and transport properties of graphene nanoribbons
Phys. Status Solidi A 207, No. 2, 304–308 (2010)



B. Oetzel, F. Bechstedt, K. Hannewald
Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques
Comp. Phys. Comm. 181 (2010) 746–749