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

By Olle Gunnarsson

ISBN-10: 981238667X

ISBN-13: 9789812386670

Alkali-doped fullerides have attracted robust curiosity on account that their construction turned attainable approximately fifteen years in the past. This ebook provides fresh paintings that may remedy interesting difficulties bobbing up from numerous striking homes. for instance, those solids are superconductors with excessive transition temperatures, even supposing the similarity among the digital and phonon power scales may still suppress superconductivity. additionally, the Ioffe–Regel for electric conductivity is strongly violated. The e-book exhibits why superconductivity is however attainable, because of a neighborhood pairing mechanism. The Ioffe–Regel is derived quantum-mechanically, and it really is defined why the underlying assumptions are violated for fullerides and high-Tc cuprates, for instance. The ebook treats digital and delivery houses, reviewing theoretical and experimental effects. It specializes in superconductivity, electric conductivity and metal–insulator transitions, emphasizing the electron–electron and electron–phonon interactions in addition to the Jahn–Teller impression.

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

Example text

7. This figure compares band structure calculations in the (LDA) for K4C60 and E^jCeoIn the latter case the K atoms have been removed (empty sites), but the positions of the Ceo molecules are unchanged. The only difference is therefore the lack of coupling to the alkali atoms. From the figure it can be seen that the alkali atoms increase the band width by about 40 %. Furthermore, this result partly explains another puzzling feature of A4C60. 56 eV). 82 ' 83 Fig. 7 20 Models and parameters Fig. 7 t\u band for K4C60 according to (a) LDA with alkali atoms included (b) tightbinding with alkali atoms (c) LDA without alkali atoms, and (d) tight-binding without alkali atoms (after Gunnarsson et alJ9).

R] = -(h2/m)d/dr. The commutator with T also contributes. This contribution is smaller, however, and it is neglected here. 66) where r n is the position of the nth atom in a Ceo molecule. 67) where is a radial 2p orbital (2p r ). This result follows if we assume that 44 Models and parameters 2pr orbitals on different sites have no overlap. It is then straightforward to calculate the different matrix elements. 2. Chapter 3 Phonons and electron-phonon coupling strength The phonons and the electron-phonon interaction are very important for the properties of alkali-doped fullerides.

Due to the large symmetry of the Ceo molecule, for many of the ordered structures it is possible to express all the hopping integrals in terms of a few parameters. This is similar to the situation of a tight-binding description in terms of so-called Slater-Koster two-center integrals. In that case one puts a coordinate axis through two neighboring atoms and uses the fact that two orbitals with different azimuthal quantum numbers do not couple. For instance, for a tight-binding description of p orbitals, all hopping integrals can be expressed in terms of two integrals, ppa and ppir.

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

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