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juDFT - Home of the DFT codes in Juelich
juDFT: DFT from FZ-Jülich

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juTiBi: The Jülich Tight Binding Code

Symbol - Mail LinkContact: T.Schena or Symbol - Mail LinkContact: N.Ohs

juTiBi is a new parametrized tight-binding code, able to treat highly complex magnetic structures with a focus on an efficient treatment of non-collinear magnetism such as it occurs in spin-spirals. The code is based on the tight-binding parametrization of the Naval Research Laboratory (NRL) Symbol - externer Linksee Mehl et al. in PRB 54 4519. Magnetism is incorporated by exploiting the Stoner model. An additional local charge neutrality constraint models the charge screening in metals coming from the Coulomb repulsion due to charge-transfer in chemically and structurally inhomogeneous systems. All calculations can be performed including spin-orbit coupling (SOC). Exploiting the computationally efficient generalized Bloch theorem and including SOC in 1st order perturbation theory, allows for the analysis of the Dzyaloshinskii-Moriya interaction in complex magnetic structures.

Restrictions: It is currently not possible to perform structural relaxations with the code and no systems with more than two inequivalent chemical atom types (i.e. ternary, quaternary,… compounds) can be treated.

juTiBi was developed in 2009-2010 as part of the Master Thesis Symbol - externer Link“Tight-Binding Treatment of Complex Magnetic Structures in Low-Dimensional Systems” of Timo Schena under the supervision of Phivos Mavropoulos, Yuriy Mokrousov, and Stefan Blügel at the Forschungszentrum Jülich in collaboration with Symbol - externer LinkCyrille Barreteau at the CEA Saclay. The code is open source under the GNU licence agreement. If you use the code for publishing data, please cite the upcoming publication, which will be linked to this webpage soon.

Documentation: Symbol - externer LinkManual

Source code: Symbol - externer LinkjuTiBi.tgz

Principal Developer: Timo Schena

Forschungszentrum Jülich, D-52425 Jülich Institute for Advanced Simulation
Institute Quantum Theory of Materials Impressum
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Page last modified:
March 30, 2015