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Title: A theoretical study of the electronic properties of metallic VO₂
Author: Altanhan, Tacettin
ISNI:       0000 0001 3418 5611
Awarding Body: University of Warwick
Current Institution: University of Warwick
Date of Award: 1977
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One-electron dispersion relations are obtained in the tight-binding approximation for the two bands d11 and ɳ* which are generally considered to be involved in the metallic conduction which characterizes high temperature rutile phase of V02. An upper limit on the Coulomb potential energy associated with on-site (intra-cationic) correlations between electrons of antiparallel spins is calculated. The dispersion relations are used to calculate the average energy associated with the delocalised band states; this energy is compared with that of the corresponding Mott-insulating state in which the d-electrons are localised, one per cation, and it is found that the metallic phase is stable against Mott-insulation. In spite of the existence of strong electron-optical polar phonon interaction, the formation of a degenerate gas of lattice polarons is ruled out in metallic V02; the possibility of electronic polaron formation is examined, and is also found to be suppressed by screening effects. As an application of the energy dispersion relations the electronic specific heat, the plasma frequency and the Hall coefficient are calculated, and found to be in fairly good agreement with experiment.
Supervisor: Not available Sponsor: Türkiye Büyük Millet Meclisi ; British Council
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available
Keywords: QC Physics ; QD Chemistry