Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1324330
- Grant/Contract Number:
- FG02-07ER46397
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Scripta Materialia
- Additional Journal Information:
- Journal Name: Scripta Materialia Journal Volume: 122 Journal Issue: C; Journal ID: ISSN 1359-6462
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Chen, Yachao, Manna, Sukriti, Narayanan, Badri, Wang, Zhongwu, Reimanis, Ivar E., and Ciobanu, Cristian V. Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study. United States: N. p., 2016.
Web. doi:10.1016/j.scriptamat.2016.05.005.
Chen, Yachao, Manna, Sukriti, Narayanan, Badri, Wang, Zhongwu, Reimanis, Ivar E., & Ciobanu, Cristian V. Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study. United States. https://doi.org/10.1016/j.scriptamat.2016.05.005
Chen, Yachao, Manna, Sukriti, Narayanan, Badri, Wang, Zhongwu, Reimanis, Ivar E., and Ciobanu, Cristian V. Thu .
"Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study". United States. https://doi.org/10.1016/j.scriptamat.2016.05.005.
@article{osti_1324330,
title = {Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study},
author = {Chen, Yachao and Manna, Sukriti and Narayanan, Badri and Wang, Zhongwu and Reimanis, Ivar E. and Ciobanu, Cristian V.},
abstractNote = {},
doi = {10.1016/j.scriptamat.2016.05.005},
journal = {Scripta Materialia},
number = C,
volume = 122,
place = {United States},
year = {Thu Sep 01 00:00:00 EDT 2016},
month = {Thu Sep 01 00:00:00 EDT 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.scriptamat.2016.05.005
https://doi.org/10.1016/j.scriptamat.2016.05.005
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 7 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
A new polymorph of eucryptite (LiAlSiO 4 ), ε-eucryptite, and thermal expansion of α- and ε-eucryptite at high pressure
journal, April 2002
- Zhang, Jianzhong; Celestian, Aaron; Parise, John B.
- American Mineralogist, Vol. 87, Issue 4
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
In Situ Raman Indentation of β-Eucryptite: Characterization of the Pressure-Induced Phase Transformation
journal, April 2009
- Jochum, Timothy; Reimanis, Ivar E.; Lance, Michael J.
- Journal of the American Ceramic Society, Vol. 92, Issue 4
Iron Partitioning and Density Changes of Pyrolite in Earth’s Lower Mantle
journal, December 2009
- Irifune, Tetsuo; Shinmei, Toru; McCammon, Catherine A.
- Science, Vol. 327, Issue 5962
Structural mechanisms underlying near-zero thermal expansion in β-eucryptite: A combined synchrotron x-ray and neutron Rietveld analysis
journal, July 1999
- Xu, Hongwu; Heaney, Peter J.; Yates, Douglas M.
- Journal of Materials Research, Vol. 14, Issue 7
One-dimensional cooperative LI-diffusion in β-eucryptite
journal, September 1977
- Alpen, U. v.; Schulz, Heinz; Talat, G. H.
- Solid State Communications, Vol. 23, Issue 12
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Pressure-Induced Amorphization and Phase Transformations in β-LiAlSiO 4
journal, May 2005
- Zhang, Jianzhong; Zhao, Yusheng; Xu, Hongwu
- Chemistry of Materials, Vol. 17, Issue 11
Effects of static non-hydrostatic stress on the R lines of ruby single crystals
journal, December 1996
- Chai, Mu; Michael Brown, J.
- Geophysical Research Letters, Vol. 23, Issue 24
Effect of Doping on the Thermal Expansion of β-Eucryptite Prepared by Sol-Gel Methods
journal, July 2012
- Ramalingam, Subramanian; Reimanis, Ivar E.
- Journal of the American Ceramic Society, Vol. 95, Issue 9
The martensitic transformation in ceramics — its role in transformation toughening
journal, January 2002
- Kelly, Patrick M.; Francis Rose, L. R.
- Progress in Materials Science, Vol. 47, Issue 5
LSI - a computer program for simultaneous refinement of material structure and microstructure
journal, June 1992
- Lutterotti, L.; Scardi, P.; Maistrelli, P.
- Journal of Applied Crystallography, Vol. 25, Issue 3
Structural modulations and phase transitions in β-eucryptite: an in-situ TEM study
journal, September 1999
- Xu, H.; Heaney, P. J.; Böhm, H.
- Physics and Chemistry of Minerals, Vol. 26, Issue 8
Pressure effects on the structural and electronic properties of ABX4 scintillating crystals
journal, May 2008
- Errandonea, Daniel; Manjón, Francisco Javier
- Progress in Materials Science, Vol. 53, Issue 4, p. 711-773
Mechanism of Charge Transfer in Olivine-Type LiFeSiO 4 and LiFe 0.5 M 0.5 SiO 4 (M = Mg or Al) Cathode Materials: First-Principles Analysis
journal, April 2015
- Sarkar, Tanmay; Bharadwaj, Mridula Dixit; Waghmare, Umesh V.
- The Journal of Physical Chemistry C, Vol. 119, Issue 17
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Structural relations between the low and high-temperature forms of β-eucryptite (LiAlSiO 4 ) and low and high quartz. II. High-temperature form of β-eucryptite and high quartz
journal, July 1972
- Schulz, H.; Tscherry, V.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 7
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Preparation and ionic conductivity of β-LiAlSiO4 thin film
journal, February 2004
- Shin-ichi, F.
- Solid State Ionics, Vol. 167, Issue 3-4
High-quartz solid-solution phases from xerogels with composition 2MgO.2Al2O3.5SiO2 (μ-cordierite) and Li2O.Al2O3.nSiO2 (n = 2 to 4) (β-eucryptite): Characterization by XRD, FTIR and surface measurements
journal, January 1993
- Mazza, D.; Lucco-Borlera, M.; Busca, G.
- Journal of the European Ceramic Society, Vol. 11, Issue 4
High-pressure, temperature elasticity of Fe- and Al-bearing MgSiO3: Implications for the Earth's lower mantle
journal, January 2016
- Zhang, Shuai; Cottaar, Sanne; Liu, Tao
- Earth and Planetary Science Letters, Vol. 434
Effect of the substitution of boron for aluminium in the β-eucryptite LiAlSiO4 structure
journal, January 1994
- Mazza, Daniele; Lucco-Borlera, Maria
- Journal of the European Ceramic Society, Vol. 13, Issue 1
Average and super structure of β eucryptite (LiAlSiO 4 ) Part II. Superstructure
journal, July 1972
- Tscherry, V.; Schulz, H.; Laves, F.
- Zeitschrift für Kristallographie, Vol. 135, Issue 3-4
BaBiBO4, a novel non-centrosymmetric borate oxide
journal, September 2005
- Barbier, Jacques; Penin, Nicolas; Denoyer, Aurélie
- Solid State Sciences, Vol. 7, Issue 9
Ionic conductivity in LiAlSiO4
journal, October 1975
- Johnson, R. T.; Morosin, B.; Knotek, M. L.
- Physics Letters A, Vol. 54, Issue 5
In situ Diamond Anvil Cell-Raman Spectroscopy and Nanoindentation Study of the Pressure-Induced Phase Transformation in Pure and Zinc-Doped β-Eucryptite
journal, February 2013
- Ramalingam, Subramanian; Packard, Corinne E.; Reimanis, Ivar E.
- Journal of the American Ceramic Society, Vol. 96, Issue 6
Bulk glasses and ultrahard nanoceramics based on alumina and rare-earth oxides
journal, August 2004
- Rosenflanz, A.; Frey, M.; Endres, B.
- Nature, Vol. 430, Issue 7001
Li-diffusion and lattice relaxation in the 1-D superionic-conductor beta-eucryptite (LiAlSiO4)
journal, December 1983
- Renker, B.; Bernotat, H.; Heger, G.
- Solid State Ionics, Vol. 9-10
Polymerization of Formic Acid under High Pressure
journal, February 2005
- Goncharov, Alexander F.; Manaa, M. Riad; Zaug, Joseph M.
- Physical Review Letters, Vol. 94, Issue 6
Pressure-induced phase transition in β-eucryptite (LiAlSiO4)
journal, June 1975
- Morosin, B.; Peercy, P. S.
- Physics Letters A, Vol. 53, Issue 2
Integrating in situ high pressure small and wide angle synchrotron x-ray scattering for exploiting new physics of nanoparticle supercrystals
journal, September 2010
- Wang, Zhongwu; Chen, Ou; Cao, Charles Y.
- Review of Scientific Instruments, Vol. 81, Issue 9
Ruby pressure scale in a low-temperature diamond anvil cell
journal, December 2012
- Yamaoka, Hitoshi; Zekko, Yumiko; Jarrige, Ignace
- Journal of Applied Physics, Vol. 112, Issue 12
Neutron scattering study of the one-dimensional ionic conductor β-eucryptite
journal, February 1980
- Press, W.; Renker, B.; Schulz, H.
- Physical Review B, Vol. 21, Issue 3
Transformation of stishovite to a denser phase at lower-mantle pressures
journal, March 1995
- Kingma, Kathleen J.; Cohen, Ronald E.; Hemley, Russell J.
- Nature, Vol. 374, Issue 6519
Ultralow Compressibility Silicate without Highly Coordinated Silicon
journal, December 2001
- Scott, Henry P.; Williams, Quentin; Knittle, Elise
- Physical Review Letters, Vol. 88, Issue 1