Author/Authors :
Antipov، Evgeny V. نويسنده , , Kaul، Enrique E. نويسنده , , Geibel، Christoph نويسنده , , Shpanchenko، oman V. نويسنده , , Chernaya، Viktoria V. نويسنده , , Tsirlin، Alexander A. نويسنده , , Chizhov، Pavel S. نويسنده , , Sklovsky، Dmitry E. نويسنده , , Khlybov، Evgeny P. نويسنده , , Pomjakushin، Vladimir نويسنده , , Balagurov، Anatoly M. نويسنده , , Medvedeva، Julia E. نويسنده ,
Abstract :
The new perovskite PbVO3 was synthesized under hightemperature and high-pressure conditions. Its crystal structure (a = 3.80005(6) A, c = 4.6703(1) A, Z = 1, S.G. P4mm) contains isolated layers of corner-shared VO5 pyramids, which are formed instead of octahedra due to a strong tetragonal distortion (c/a = 1.23). The lead atom is shifted out of the center of the unit cell toward one of two [VO2]-layers due to the influence of the lone pair. This new perovskite exhibits a semiconductor (rho)-like (T) dependence down to 2 K. This behavior can be qualitatively explained by taking into account strong electron correlations in electronic structure calculations.
