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We develop a new tight-binding (TB) approximation method that enables us to calculate electronic structures of materials immersed in the uniform magnetic field. Since the present method is based on the Dirac equation, relativistic effects are inherently taken into account. Due to the Zeeman effect and the translational property of the wave function in the uniform magnetic field, matrix elements of the Hamiltonian explicitly depend on the magnetic field. Relativistic TB parameters, which are needed for actual calculations, can be evaluated by using results of relativistic energy-band calculations of zero magnetic field as the reference data.

Relativistic tight-binding approximation method for materials immersed in the magnetic field