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Transport properties of Ba 1 - x K x BiO 3 and Nd 2 - x Ce x CuO 4 are calculated by solving the Boltzmann equation using the electronic energy-band structures obtained with the local-density full-potential linearized augmented-plane-wave method. For Ba 1 - x K x BiO 3 the calculated Hall coefficient R H is (two times) larger than experiment and has the correct (negative) sign. For Nd 2 - x Ce x CuO 4 a positive Hall coefficient is obtained for the magnetic field oriented perpendicular to the Cu-O planes. This is to be compared with a negative experimental value found for x <0.18 and recent experiments that show a change of sign of this Hall coefficient (from negative to positive with increasing x ) for x =0.18. These results indicate a trend (previously found for La 2 - x Sr x CuO 4 ) towards a regime in which the conventional band-theoretical description comes into better agreement with experiment. The highly anisotropic nature of the resistivity of Nd 2 - x Ce x CuO 4 is discussed.
Physical Review B – American Physical Society (APS)
Published: Oct 1, 1990
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