Terahertz dielectric response of cubic BaTiO3

被引:135
作者
Ponomareva, I. [1 ]
Bellaiche, L. [1 ]
Ostapchuk, T. [2 ]
Hlinka, J. [2 ]
Petzelt, J. [2 ]
机构
[1] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA
[2] Acad Sci Czech Republic, Inst Phys, Prague 18221 8, Czech Republic
来源
PHYSICAL REVIEW B | 2008年 / 77卷 / 01期
关键词
D O I
10.1103/PhysRevB.77.012102
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A first-principles-based approach is developed to study the dielectric response of paraelectric BaTiO(3), as a function of frequency and temperature. Two different overdamped modes of comparable strengths are found to contribute to such response, in the similar or equal to 1-150 cm(-1) frequency range for temperatures up to similar or equal to 750 K. The lower frequency mode softens toward the Curie point, while the higher-frequency mode stays in the 60-100 cm(-1) range and is associated with temperature-independent short-range correlations. Our far-infrared reflectivity measurements confirm the existence of these two modes, and yield a very good agreement with calculations.
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页数:4
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共 31 条
[1]   FERROELECTRIC PROPERTIES IN EPITAXIALLY GROWN BAXSR1-XTIO3 THIN-FILMS [J].
ABE, K ;
KOMATSU, S .
JOURNAL OF APPLIED PHYSICS, 1995, 77 (12) :6461-6465
[2]   FREQUENCY + TEMPERATURE RESPONSE OF POLARIZATION OF BARIUM TITANATE [J].
BALLANTYNE, JM .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 136 (2A) :A429-&
[3]   Piezoelectricity of ferroelectric perovskites from first principles [J].
Bellaiche, L .
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 2002, 6 (01) :19-25
[4]   Low-temperature properties of Pb(Zr1-xTix)O3 solid solutions near the morphotropic phase boundary [J].
Bellaiche, L ;
García, A ;
Vanderbilt, D .
FERROELECTRICS, 2002, 266 :41-56
[5]   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
[6]   Lattice dynamics and central-mode phenomena in the dielectric response of ferroelectrics and related materials [J].
Buixaderas, E ;
Kamba, S ;
Petzelt, J .
FERROELECTRICS, 2004, 308 :131-192
[7]   THEORETICAL CALCULATION OF IONIC SOLUTION PROPERTIES [J].
CAILLOL, JM ;
LEVESQUE, D ;
WEIS, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6645-6657
[8]   LINEAR DISORDER IN CRYSTALS (SILICON, QUARTZ AND FERROELECTRIC PEROVSKITES) [J].
COMES, R ;
LAMBERT, M ;
GUINIER, A .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :244-&
[9]   CHAIN STRUCTURE OF BATIO3 AND KNBO3 [J].
COMES, R ;
LAMBERT, M ;
GUINIER, A .
SOLID STATE COMMUNICATIONS, 1968, 6 (10) :715-&
[10]   Physics of thin-film ferroelectric oxides [J].
Dawber, M ;
Rabe, KM ;
Scott, JF .
REVIEWS OF MODERN PHYSICS, 2005, 77 (04) :1083-1130