Flexoelectricity in ATiO3 (A = Sr, Ba, Pb perovskite oxide superlattices from density functional theory

被引：13

作者：

Plymill, Austin ^{[1
]}

Xu, Haixuan ^{[1
]}

机构：

[1] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA

来源：

JOURNAL OF APPLIED PHYSICS | 2018年 / 123卷 / 14期

关键词：

BARIUM STRONTIUM-TITANATE; AB-INITIO; POLARIZATION; SEMICONDUCTORS; SOLIDS; METALS;

D O I：

10.1063/1.5018405

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Flexoelectric coefficients for several bulk and superlattice perovskite systems are determined using a direct approach from first principles density functional theory calculations. A strong enhancement in the longitudinal flexoelectric coefficient has been observed in the (SrTiO3)-Sr-1/(PbTiO3)-Pb-1 superlattice with alternating single atomic layers of SrTiO3 and PbTiO3. It was found that atomistic displacement, charge response under strain, and interfaces affect the flexoelectric properties of perovskite superlattice systems. These factors can be used to tune this effect in dielectrics. It was further found that the calculated Born effective charge for an ion under the influence of strain can differ significantly from the bulk value. These insights can be used to help search for more effective flexoelectric materials to be implemented in electromechanical devices. Published by AIP Publishing.

引用

页数：4

共 37 条

[1] Experimental studies on the direct flexoelectric effect in α-phase polyvinylidene fluoride films
Baskaran, Sivapalan
He, Xiangtong
Chen, Qin
Fu, John Y.
[J]. APPLIED PHYSICS LETTERS, 2011, 98 (24)
[2] Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations
Benrekia, A. R.
Benkhettou, N.
Nassour, A.
Driz, M.
Sahnoun, M.
Lebegue, S.
[J]. PHYSICA B-CONDENSED MATTER, 2012, 407 (13) : 2632 - 2636
[3] Bhaskar UK, 2016, NAT NANOTECHNOL, V11, P263, DOI [10.1038/nnano.2015.260, 10.1038/NNANO.2015.260]
[4] Improper ferroelectricity in perovskite oxide artificial superlattices
Bousquet, Eric
Dawber, Matthew
Stucki, Nicolas
Lichtensteiger, Celine
Hermet, Patrick
Gariglio, Stefano
Triscone, Jean-Marc
Ghosez, Philippe
[J]. NATURE, 2008, 452 (7188) : 732 - U4
[5] Catalan G, 2011, NAT MATER, V10, P963, DOI [10.1038/nmat3141, 10.1038/NMAT3141]
[6] Flexoelectric effects: Charge separation in insulating solids subjected to elastic strain gradients
Cross, LE
[J]. JOURNAL OF MATERIALS SCIENCE, 2006, 41 (01) : 53 - 63
[7] Surface piezoelectricity: Size effects in nanostructures and the emergence of piezoelectricity in non-piezoelectric materials
Dai, Shuangxing
Gharbi, Mohamed
Sharma, Pradeep
Park, Harold S.
[J]. JOURNAL OF APPLIED PHYSICS, 2011, 110 (10)
[8] Possible piezoelectric composites based on the flexoelectric effect
Fousek, J
Cross, LE
Litvin, DB
[J]. MATERIALS LETTERS, 1999, 39 (05) : 287 - 291
[9] Experimental studies of the converse flexoelectric effect induced by inhomogeneous electric field in a barium strontium titanate composition
Fu, John Y.
Zhu, Wenyi
Li, Nan
Cross, L. Eric
[J]. JOURNAL OF APPLIED PHYSICS, 2006, 100 (02)
[10] Gradient scaling phenomenon in microsize flexoelectric piezoelectric composites
Fu, John Y.
Zhu, Wenyi
Li, Nan
Smith, Nadine B.
Cross, L. Eric
[J]. APPLIED PHYSICS LETTERS, 2007, 91 (18)

← 1 2 3 4 →