Read e-book online Alkali-Doped Fullerides: Narrow-Band Solids with Unusual PDF

By Olle Gunnarsson

ISBN-10: 981238667X

ISBN-13: 9789812386670

Alkali-doped fullerides have attracted robust curiosity seeing that their creation grew to become attainable approximately fifteen years in the past. This ebook provides contemporary paintings that could clear up fascinating difficulties bobbing up from numerous impressive houses. for instance, those solids are superconductors with excessive transition temperatures, even though the similarity among the digital and phonon strength scales may still suppress superconductivity. furthermore, the Ioffe–Regel situation for electric conductivity is strongly violated. The booklet exhibits why superconductivity is however attainable, as a result of a neighborhood pairing mechanism. The Ioffe–Regel is derived quantum-mechanically, and it truly is defined why the underlying assumptions are violated for fullerides and high-Tc cuprates, for instance. The booklet treats digital and delivery homes, reviewing theoretical and experimental effects. It makes a speciality of superconductivity, electric conductivity and metal–insulator transitions, emphasizing the electron–electron and electron–phonon interactions in addition to the Jahn–Teller influence.

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Extra resources for Alkali-Doped Fullerides: Narrow-Band Solids with Unusual Properties

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On the other hand, we find that to describe the t\u plasmon, discussed in Sec. 2 one needs to reduce the band width by about 40 %. Finally, we discuss the DOS in Sec. 6 and find that the iV(0) from LDA calculations is roughly consistent with other estimates. From the discussion above it should be clear that there are substantial uncertainties in the value 24 Models and parameters of W, but that the LDA value is not unreasonable. 2 Coulomb interaction The Coulomb interaction plays an important role for alkali-doped fullerenes.

1. An antibonding hu orbital is projected out from the antibonding combination of 2pr orbitals on atom number 2 and its reflection in the 2 = 0 plane. 1. 9) Two more functions can be obtained by rotating this function around the threefold axes [111] and [III]. The remaining two functions are obtained 14 Models and parameters by appropriate rotations of the \hu3) function, followed by appropriate antisymmetrizations. 42 The functions are shown in Fig. 4. 2 Hopping between CQQ molecules To describe the hopping between molecules, we use a tight-binding type of approach, where the molecular orbitals \fJ,m) of a free molecule are used as a basis set.

5 we compare the band structure of solid Ceo in the Fm3 structure according to the method just described and according to a band structure calculation 79 in the local density approximation (LDA). 46 A. 2 A. The overall hopping strength has been adjusted to reproduce the LDA band width. The agreement between the present tight-binding approach and the LDA calculation is very good. The main difference is a slight deviation for the two lowest bands around the X- and W-points. This very good agreement is not entirely surprising.

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Alkali-Doped Fullerides: Narrow-Band Solids with Unusual Properties by Olle Gunnarsson

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