论文标题
从潜在的铁电性到碱铅卤化物钙钛矿中的超级高电。
From latent ferroelectricity to hyperferroelectricity in alkali lead halide perovskites
论文作者
论文摘要
使用第一原理计算，我们表明，几个碱铅卤化物潜在地呈现了集体铁电化极化。这至少应该在纳米级发生。可以从宏观上检测到它，只要它不会被立方钙钛矿相的稳定性温度范围内的晶格振动所掩盖。对于钾铅卤化物和碱含氟化物，非常明显的是，铁电行为转向高液体，这表明尽管电荷在表面或界面上诱导了去极化电位，但仍具有更健壮的铁电偏振电位。
Using first principles calculations we show that several alkali lead halides potentially present collective ferroelectric polarization. This should occur at least at the nanoscale; it could be detected macroscopically provided it is not concealed by lattice vibrations in the temperature range of stability of the cubic perovskite phase. For potassium lead halides and for alkali lead fluorides, remarkably, the ferroelectric behavior turns hyper-ferroelectric, suggesting a more robust ferroelectric polarization in spite of depolarization potentials induced by charge accumulation on surfaces or interfaces.
