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- W2078301877 abstract "The structural and electronic properties of YBa2Cu3O7 have been investigated by the total energy-pseudopotential method within the local density approximation. We have calculated charge density and length of bonds for ambient and high pressures, and the change of hole concentration with pressure in this system. Our results show the increase of holes in both CuO2 planes and Cu–O chains under high pressures. Bulk modulus and equilibrium volume have been also calculated to be 184 GPa and 174.89 Å3, respectively." @default.
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- W2078301877 date "2002-08-01" @default.
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- W2078301877 title "Charge density distribution with pressure in Y-123" @default.
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- W2078301877 doi "https://doi.org/10.1016/s0921-4526(02)01075-x" @default.
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