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1
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0002004726
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London, Can. J. Phys., 34, 6, 1356, and Philos. Mag., 287
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(1949)
Sect. A
, vol.62
, pp. 416
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Mott, N.F.1
Soc2
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9
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36149009858
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and in Magnetism, edited by G. Radon and H. Suhl (Academic, New York, 1963), Vol. 1, p. 25, and in Solid State Physics, edited by F. Seitz and D. Turnbull (Academic, New York, 1963), Vol. 14, p. 95.
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(1959)
Phys. Rev.
, vol.115
, pp. 2
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Anderson, P.W.1
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18
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84927449334
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The anion valence-band width is determined mainly by ligand-ligand hybridization as shown by band-structure calculations (Ref. 3 and R. Coehoorn, private communication).
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19
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84927449331
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Coehoorn, Ref. 12.
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24
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84927449318
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For each irreducible representation we obtain the lowest-energy state and the excitation spectrum. The full excitation spectrum then includes excitations between the ground-state irreducible representation and other states of the same or other irreducible representation.
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25
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84927449317
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Compared to the excitation spectrum calculated by density functional theory an additional energy is therefore required to separate the electron from its exchange-correlation hole as present in the ground state.
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26
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84927449316
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Note that this diagram represents the states used for only one of the many irreducible representations for each of the three problems.
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27
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84927449315
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J. Zaanen and G. A. Sawatzky, to be published.
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29
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84927449313
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For example, for a Ni2+_ d8 [3 A2g ( eg2 )] state, the degeneracy is 2 so that the effective hybridization interaction is sqrt 2 T.
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30
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84927449311
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For example, a two-particle Green's function can be obtained exactly in a manner similar to that recently presented for Auger spectra of impurities in metals. In this paper it is also shown how the different irreducible representations can be treated. M. Vos
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(1983)
Phys. Rev. B
, vol.29
, pp. 3074
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van der Marel, D.1
Sawatzky, G.A.2
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31
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84927449309
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For example, if the dispersional part of the d-band width is greater than U a metallic state may prevail (see Ref. 3) although the crystal structure may be such as to open up a one-electron gap as in Ti2 O3_.
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32
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84927449307
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F. Jellinek, Inorganic Sulphur Chemistry (Elsevier, Amsterdam, 1968), p. 669; MTP International Review of Science, Inorganic Chemistry Series I (Butterworths, London, 1972), Vol. 5, p. 339.
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