Two-dimensional nanoscale correlations in the strong negative thermal expansion material ScF3

被引：12

作者：

Handunkanda, Sahan U. ^{[1
,2
]}

Occhialini, Connor A. ^{[1
]}

Said, Ayman H. ^{[3
]}

Hancock, Jason N. ^{[1
,2
]}

机构：

[1] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA

[2] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA

[3] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA

来源：

PHYSICAL REVIEW B | 2016年 / 94卷 / 21期

基金：

美国国家科学基金会;

关键词：

RIGID-UNIT MODES; PHASE-TRANSITIONS; CUBIC SCF3; LATTICES;

D O I：

10.1103/PhysRevB.94.214102

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present diffuse x-ray scattering data on the strong negative thermal expansion (NTE) material ScF3 and find that two-dimensional nanoscale correlations exist at momentum-space regions associated with possibly rigid rotations of the perovskite octahedra. We address the extent to which rigid octahedral motion describes the dynamical fluctuations behind NTE by generalizing a simple model supporting a single floppy mode that is often used to heuristically describe instances of NTE. We find this model has tendencies toward dynamic inhomogeneities and its application to recent and existing experimental data suggest an intricate link between the nanometer correlation length scale, the energy scale for octahedral tilt fluctuations, and the coefficient of thermal expansion in ScF3. We then investigate the breakdown of the rigid limit and propose a resolution to an outstanding debate concerning the role of molecular rigidity in strong NTE materials.

引用

页数：6

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