SELECTED PROPERTIES OF Y-Ba-Cu-O IN CONNECTION WITH THE PROPERTIES OF Cu-O CHAINS

1992 ◽  
Vol 06 (13) ◽  
pp. 2291-2319 ◽  
Author(s):  
G. UIMIN

Here we discuss some experimental evidence which supports a significant role of …-Cu-O…chain fragments, situated in oxygen deficient planes, in the doping of carriers into CuO 2 planes, in structural phase transitions and in many other normal and superconducting properties of Y-Ba-Cu-O . The relevant experiments are associated with the structural, magnetic, XAS, NMR/NQR investigations. The well-established phase diagram of YBa 2 Cu 3 O 6+x, i-e., the Néel, T N , and superconducting, T c , transition temperatures versus the oxygen content x, is the basis of the theory which should explain the structural phase transitions as well as the charge transfer mechanism. It appears that lattice-gas models do not answer all the requirements, particularly, concerned with the intrinsic chain fragments. Although the theory of the oxygen deficient plane, sharing quantum mechanics of finite chain fragments, statistical mechanics of the chain fragment ensemble as well as Monte Carlo simulations, is in its formative stage yet, it can readily apply to quantitative interpretation of selected experiments.

1985 ◽  
Vol 63 ◽  
Author(s):  
Marvin L. Cohen

ABSTRACTThrough the development of a total energy pseudopotential approach, it has become possible to compute structural, electronic, and vibrational properties of solids using only the atomic numbers and atomic masses of the constituent atoms as input. The method has been applied to semiconductors, insulators, and metals; and agreement with experiment for most properties is usually within a few percent.Applications include the determination of lattice constants for specific structural phases, properties of structural phase transitions, cohesive energies, bulk moduli, lattice vibrational spectra, electron-lattice interaction parameters, and electronic and superconducting properties. A recent example is the prediction of superconductivity in highly condensed hexagonal silicon which was subsequently found experimentally.


2002 ◽  
Vol 168 (1) ◽  
pp. 267-274 ◽  
Author(s):  
P. Fischer ◽  
B. Lucas ◽  
M.A. Omary ◽  
C.L. Larochelle ◽  
H.H. Patterson

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