Lattice dynamical analogies and differences between SrTiO3 and EuTiO3 revealed by phonon-dispersion relations and double-well potentials

被引：48

作者：

Bettis, Jerry L. ^{[1
]}

Whangbo, Myung-Hwan ^{[1
]}

Koehler, Juergen ^{[2
]}

Bussmann-Holder, Annette ^{[2
]}

Bishop, A. R. ^{[3
]}

机构：

[1] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA

[2] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

[3] Los Alamos Natl Lab, Los Alamos, NM 87545 USA

来源：

PHYSICAL REVIEW B | 2011年 / 84卷 / 18期

关键词：

110 DEGREES K; SPIN-EXCHANGE INTERACTIONS; ELECTRON-PARAMAGNETIC-RESONANCE; PHASE-TRANSITION; STRONTIUM-TITANATE; FERROELECTRICITY; MODES; STABILITY; SOLIDS; ORIGIN;

D O I：

10.1103/PhysRevB.84.184114

中图分类号：

T [工业技术];

学科分类号：

120111 [工业工程];

摘要：

A comparative analysis of the structural phase transitions of EuTiO3 and SrTiO3 ( at T-S = 282 and 105 K, respectively) is made on the basis of phonon-dispersion and density functional calculations. The phase transition of EuTiO3 is predicted to arise from the softening of a transverse acoustic zone boundary mode caused by the rotations of the TiO6 octahedra, as also found for the phase transition of SrTiO3. Although the temperature dependence of the soft mode is similar in both compounds, their elastic properties differ drastically because of a large difference in the double-well potentials associated with the soft zone boundary acoustic mode.

引用

页数：5

共 43 条

[1]

ANOMALOUS ACOUSTIC DISPERSION IN CENTROSYMMETRIC CRYSTALS WITH SOFT OPTIC PHONONS [J].

AYE, JD ;

HARADA, J ;

SHIRANE, G .

PHYSICAL REVIEW B-SOLID STATE, 1970, 1 (03) :1227-&

[2]

ELASTIC CONSTANTS OF STRONTIUM TITANATE [J].

BELL, RO ;

RUPPRECHT, G .

PHYSICAL REVIEW, 1963, 129 (01) :90-&

[3]

THEORY OF FERROELECTRICITY - THE POLARIZABILITY MODEL [J].

BILZ, H ;

BENEDEK, G ;

BUSSMANNHOLDER, A .

PHYSICAL REVIEW B, 1987, 35 (10) :4840-4849

[4]

MICROSCOPIC MODEL OF FERROELECTRIC SOFT MODES [J].

BILZ, H ;

BUSSMANN, A ;

BENEDEK, G ;

BUTTNER, H ;

STRAUCH, D .

FERROELECTRICS, 1980, 25 (1-4) :339-342

[5]

Blaha P., 2001, WIEN2K

[6]

Burkhard H, 1976, HELV PHYS ACTA, V49, P725

[7]

Relation between structural instabilities in EuTiO3 and SrTiO3 [J].

Bussmann-Holder, A. ;

Koehler, J. ;

Kremer, R. K. ;

Law, J. M. .

PHYSICAL REVIEW B, 2011, 83 (21)

[8]

Precursor effects, broken local symmetry, and coexistence of order-disorder and displacive dynamics in perovskite ferroelectrics [J].

Bussmann-Holder, A. ;

Beige, H. ;

Voelkel, G. .

PHYSICAL REVIEW B, 2009, 79 (18)

[9]

Polar-soft-mode-driven structural phase transition in SrTiO3 [J].

Bussmann-Holder, A. ;

Buettner, H. ;

Bishop, A. R. .

PHYSICAL REVIEW LETTERS, 2007, 99 (16)

[10]

Electron-phonon-interaction-driven anharmonic mode-mode coupling in ferroelectrics: The origin of acoustic-mode anomalies [J].

BussmannHolder, A .

PHYSICAL REVIEW B, 1997, 56 (17) :10762-10765

← 1 2 3 4 5 →