Prediction of a native ferroelectric metal

被引:81
作者
Filippetti, Alessio [1 ]
Fiorentini, Vincenzo [1 ,2 ]
Ricci, Francesco [2 ,3 ]
Delugas, Pietro [4 ,5 ]
Iniguez, Jorge [6 ,7 ]
机构
[1] Ist Officina Mat, CNR IOM SLACS Cagliari, I-09042 Monserrato, CA, Italy
[2] Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, CA, Italy
[3] Catholic Univ Louvain, Inst Condensed Matter & Nanosci, B-1348 Louvain, Belgium
[4] Ist Italiano Tecnol, Via Morego 30, I-16163 Genoa, Italy
[5] Scuola Int Super Studi Avanzati, Via Bonomea 265, I-34136 Trieste, Italy
[6] Luxembourg Inst Sci & Technol, Dept Mat Res & Technol, 5 Ave Hauts Fourneaux, L-4362 Esch Sur Alzette, Luxembourg
[7] CSIC, Inst Ciencia Mat Barcelona ICMAB, Campus UAB, Bellaterra 08193, Spain
关键词
TOTAL-ENERGY CALCULATIONS; POLARIZATION; PSEUDOPOTENTIALS; THERMOPOWER; LA2TI2O7; OXIDE;
D O I
10.1038/ncomms11211
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Over 50 years ago, Anderson and Blount discussed symmetry-allowed polar distortions in metals, spawning the idea that a material might be simultaneously metallic and ferroelectric. While many studies have ever since considered such or similar situations, actual ferroelectricity-that is, the existence of a switchable intrinsic electric polarization-has not yet been attained in a metal, and is in fact generally deemed incompatible with the screening by mobile conduction charges. Here we refute this common wisdom and show, by means of first-principles simulations, that native metallicity and ferroelectricity coexist in the layered perovskite Bi5Ti5O17. We show that, despite being a metal, Bi5Ti5O17 can sustain a sizable potential drop along the polar direction, as needed to reverse its polarization by an external bias. We also reveal striking behaviours, as the self-screening mechanism at work in thin Bi5Ti5O17 layers, emerging from the interplay between polar distortions and carriers in this compound.
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页数:7
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