Global and secondary ferroelectric minima in ordered Pb(Sc0.25Nb0.25Ti0.5)O3 alloys

被引:5
作者
Al-Barakaty, A [1 ]
Bellaiche, L [1 ]
机构
[1] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA
关键词
D O I
10.1063/1.1509473
中图分类号
O59 [应用物理学];
学科分类号
摘要
A first-principles-derived approach is developed to study properties of two Pb(Sc0.25Nb0.25Ti0.5)O-3 alloys that are both atomically ordered along the [001] direction. Unlike the first alloy, the second structure has differently-charged (001) B-planes. Both systems exhibit a global ferroelectric minimum of orthorhombic symmetry and a secondary ferroelectric minimum of tetragonal symmetry. Some electromechanical responses are enhanced in the secondary minimum, especially for the second structure. Mechanisms allowing a switch from the global to the secondary minimum are discussed. (C) 2002 American Institute of Physics.
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页码:2442 / 2444
页数:3
相关论文
共 15 条
[1]  
Bellaiche L, 2000, PHYS REV B, V61, P7877, DOI 10.1103/PhysRevB.61.7877
[2]   Finite-temperature properties of Pb(Zr1-xTix)O3 alloys from first principles [J].
Bellaiche, L ;
García, A ;
Vanderbilt, D .
PHYSICAL REVIEW LETTERS, 2000, 84 (23) :5427-5430
[3]   Unconventional hysteresis behavior in compositionally graded Pb(Zr,Ti)O3 thin films [J].
Brazier, M ;
McElfresh, M ;
Mansour, S .
APPLIED PHYSICS LETTERS, 1998, 72 (09) :1121-+
[4]   Optical phonons associated with the low-temperature ferroelectric properties of perovskite solid solutions -: art. no. 180301 [J].
George, AM ;
Iñiguez, J ;
Bellaiche, L .
PHYSICAL REVIEW B, 2002, 65 (18) :1803011-1803014
[5]   Anomalous properties in ferroelectrics induced by atomic ordering [J].
George, AM ;
Iñiguez, J ;
Bellaiche, L .
NATURE, 2001, 413 (6851) :54-57
[6]   Composition modulation away from the polar direction in Pb(Sc,Nb)O3 alloys -: art. no. 060102 [J].
George, AM ;
Bellaiche, L .
PHYSICAL REVIEW B, 2001, 64 (06) :601021-601024
[7]   Finite-temperature properties of disordered and ordered Pb(Sc0.5Nb0.5)O3 alloys [J].
Hemphill, R ;
Bellaiche, L ;
García, A ;
Vanderbilt, D .
APPLIED PHYSICS LETTERS, 2000, 77 (22) :3642-3644
[8]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[9]   Ab initio design of perovskite alloys with predetermined properties:: The case of Pb(Sc0.5Nb0.5)O3 -: art. no. 095503 [J].
Iñiguez, J ;
Bellaiche, L .
PHYSICAL REVIEW LETTERS, 2001, 87 (09) :955031-955034
[10]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&