2017
DOI: 10.1063/1.4977244
|View full text |Cite
|
Sign up to set email alerts
|

Abstract: β-eucryptite (LiAlSiO 4 ) shows one-dimensional super-ionic conductivity as well as anisotropic thermal expansion behavior. We have performed inelastic neutron scattering measurements in β-eucryptite over 300-900 K and calculated the phonon spectrum using ab-initio density functional theory method. The calculated energy profile for cooperative lithium ion displacements indicates preferential movement of Li ion along the hexagonal c-axis in the high temperature phase. However, the energy barrier for Li ion diff… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
2
1

Citation Types

0
30
0

Year Published

2017
2017
2023
2023

Publication Types

Select...
5

Relationship

3
2

Authors

Journals

citations
Cited by 15 publications
(30 citation statements)
references
References 100 publications
(124 reference statements)
0
30
0
Order By: Relevance
“…Perhaps due to limited computational resources at that time and structural complexity, the accuracy of the calculation was limited. Later an improved calculation of the phonon spectrum in the entire Brillouin zone was reported [16] that accurately reproduce the observed anomalous thermal expansion in β-eucryptite. It also enabled to identify the specific phonon modes to understand the microscopic mechanism of the anomalous thermal expansion.…”
Section: β-Eucryptite (Lialsio4)mentioning
confidence: 97%
See 3 more Smart Citations
“…Perhaps due to limited computational resources at that time and structural complexity, the accuracy of the calculation was limited. Later an improved calculation of the phonon spectrum in the entire Brillouin zone was reported [16] that accurately reproduce the observed anomalous thermal expansion in β-eucryptite. It also enabled to identify the specific phonon modes to understand the microscopic mechanism of the anomalous thermal expansion.…”
Section: β-Eucryptite (Lialsio4)mentioning
confidence: 97%
“…The experimental phonon density of state for β-eucryptite is obtained from inelastic neutron scattering for the first time [16]. The inelastic neutron spectra are analyzed using ab-initio lattice dynamics calculations using the density functional theory.…”
Section: β-Eucryptite (Lialsio4)mentioning
confidence: 99%
See 2 more Smart Citations
“…The flexibility, porous nature and anisotropic bonding give rise to the interesting mechanism of negative linear compressibility (NLC), NTE as well as phase transitions in MOF's when exposed to varying temperature-pressure environments 5,9,11 . Different mechanisms responsible for NTE behaviour in metal inorganic and metal organic framework structures give rise to difference in magnitude of thermal expansion coefficients in these compounds 9,12 .…”
Section: Introductionmentioning
confidence: 99%