Origin of the Metal-to-Insulator Transition in H0.33MoO3
Por:
Rousseau R., Canadell E., Alemany P., Galván D.H., Hoffmann R.
Publicada:
1 ene 1997
Resumen:
The electronic structure of the double octahedral layers present in H0.33MoO3 has been studied. It is shown that, depending on structural details, three bands, two of them having a two-dimensional character and one having a one-dimensional character, can be in competition at the bottom of the t2g-block band structure. Both qualitative arguments and detailed computations show that the Fermi surface of the double octahedral layers has a two-dimensional character and does not exhibit nesting vectors. Consequently, the metal-to-insulator transition exhibited by H0.33MoO3 cannot be a Fermi surface driven electronic instability, as recently proposed. An order-disorder transition of the protons is suggested as a more likely origin of this resistivity anomaly.
Filiaciones:
Rousseau R.:
Inst. de Cie. de Mat. de Barcelona, Campus de la UAB, 08193 Bellaterra, Spain
Canadell E.:
Inst. de Cie. de Mat. de Barcelona, Campus de la UAB, 08193 Bellaterra, Spain
Alemany P.:
Dept. de Quim.-Física, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain
Galván D.H.:
Inst. de Física de la UNAM, Laboratorio de Ensenada, Ensenada, Baja California, Mexico
Hoffmann R.:
Department of Chemistry, Materials Science Center, Cornell University, Ithaca, NY 14853-1301, United States
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