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Electronic structure and structural phase transition in transition-metal trichlorides

1980; Elsevier BV; Volume: 15-18; Linguagem: Inglês

10.1016/0304-8853(80)90926-9

1873-4766

Kazuko Motizuki, S. Miyata, N. Suzuki,

Solid-state spectroscopy and crystallography

The phase transition observed in TiCl3 is interpreted as being connected with a lattice distortion. Using the energy bands calculated by the tight-binding approximation, we find that the distortion which corresponds to the Eg phonon mode can occur. Possibility of lattice distortion in VCl3 and CrCl3 is also discussed.