Ground State and Band Gap of MX complex |
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| Authors: | Zhi-Gang YU Xin SUN |
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| Affiliation: | 1. National Laboratory of Infrared Physics Shanghai Institute of Technical Physics, Shanghai 200083, China;2. Department of Physics, Fudan University, Shanghai 200433, China |
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| Abstract: | Using the one-band model of halogen-bridged mixed-valence transition metal complex (MX complex), within mean field theory, we have proved for fixed electron-phonon coupling, the band gap reaches the minimum at the boundary of the charge density wave state and the spin density wave state in the phase diagram. The analytic form of the ground state energy and the band gap are also obtained. |
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