1985
DOI: 10.1103/physrevb.31.4809
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Lattice dynamics of oxides with rutile structure and instabilities at the metal-semiconductor phase transitions ofNbO2andVO<

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Cited by 134 publications
(77 citation statements)
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“…We have chosen the parameters as ε c = 1.2 eV, g = 40 and ω 0 = 0.03 eV (Ref. 36) for the independent boson model and G = 1.5 eV 2 and γ = 2 eV for the broadening. Because the tail of the lower binding energy side of the photoemission spectrum reaches the vicinity of E F , we have chosen the coupling constant g so that ε c − ∆ ∼ 0.…”
Section: B Insulating Phasementioning
confidence: 99%
“…We have chosen the parameters as ε c = 1.2 eV, g = 40 and ω 0 = 0.03 eV (Ref. 36) for the independent boson model and G = 1.5 eV 2 and γ = 2 eV for the broadening. Because the tail of the lower binding energy side of the photoemission spectrum reaches the vicinity of E F , we have chosen the coupling constant g so that ε c − ∆ ∼ 0.…”
Section: B Insulating Phasementioning
confidence: 99%
“…The soft mode of the rutile lattice corresponding to this structural transformation is located at the point R = (1/2,0,1/2) of the Brillouin zone. [7][8][9] Correspondingly, the monoclinic phase can be mapped onto the rutile lattice by two normal vibrational modes of vanadium atoms located at the point as a result of the Brillouin zone folding in the monoclinic phase. 10 Working out the exact details of the electronic band structure of VO 2 poses a true challenge to modern manybody theories.…”
Section: Introductionmentioning
confidence: 99%
“…These modes are associated with pairing and tilting motions of the high-T rutile metal, have been shown by diffuse x-ray scattering experiments to undergo significant softening on crossing T c , 21 and their frequencies have been calculated to be of order 2-4 Thz in the high-T phase. 22 Doubling into the V 4 O 8 low-T unit cell folds these phonons to the center of the Brillouin zone, resulting in A g symmetry and Raman activity. Finally, pairing of the V atoms and electron localization may well stiffen the bonds and result in a 5-6 Thz optical phonon.…”
mentioning
confidence: 99%