Effect of the surface polarization in polar perovskites studied from first principles

M. Fechner; S. Ostanin; I. Mertig

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Effect of the surface polarization in polar perovskites studied from first principles

机译：从第一性原理研究极性钙钛矿中表面极化的影响

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The (001) surfaces of polar perovskites BaTiO_3 and PbTiO_3 have been studied from first principles at T =0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost layer, where the O ato

机译：极性钙钛矿BaTiO_3和PbTiO_3的（001）表面已根据第一原理在T = 0 K时进行了研究。对于两种极化情况，最稳定的TiO端接界面都显示出固有的铁电性。在最顶层，即O ato

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《Physical review》 |2008年第9期|206-209|共4页
作者
M. Fechner; S. Ostanin; I. Mertig;
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oxide surfaces; surface states; band structure; electron density of states; niobates; titanates; tantalates; PZT ceramics; etc.;

机译：氧化物表面表面状态带结构;状态电子密度铌酸盐钛酸酯钽酸盐PZT陶瓷;等等;

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7. Effect of the surface polarization in polar perovskites studied from first principles [O] . Fechner, M., Ostanin, S., Mertig, I. 2008

机译：极化钙钛矿表面极化效应的研究第一原则

Effect of the surface polarization in polar perovskites studied from first principles

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