DOI: 10.1016/j.epsl.2005.10.014. High-pressure phases of CaCO3: Crystal structure prediction and experiment

High-pressure phases of CaCO3: Crystal structure prediction and experiment

10.1016/j.epsl.2005.10.014

Crossref journal-article

Elsevier BV

Earth and Planetary Science Letters (78)

Bibliography

Oganov, A. R., Glass, C. W., & Ono, S. (2006). High-pressure phases of CaCO3: Crystal structure prediction and experiment. Earth and Planetary Science Letters, 241(1â2), 95â103.

Authors 3

Artem R. Oganov (first)
Colin W. Glass (additional)
Shigeaki Ono (additional)

References 25 Referenced 305

10.2138/am.2005.1610 / Am. Mineral. / Post-aragonite phase transformation in CaCO3 at 40 GPa by Ono (2005)
C.W Glass, A.R. Oganov, and N. Hansen, USPEX: a universal structure prediction program (in preparation).
10.2138/am-2002-8-927 / Am. Mineral. / Structural refinements of magnesite at very high pressure by Fiquet (2002)
10.2138/am-2001-8-906 / Am. Mineral. / Phase relations of CaCO3 at high pressure and high temperature by Suito (2001)
10.2138/am-1996-5-608 / Am. Mineral. / In situ X-ray diffraction of aragonite and dolomite at high pressure and high temperature: evidence for dolomite breakdown to aragonite and magnesite by Martinez (1996)
10.1016/S0012-821X(00)00346-0 / Earth Planet. Sci. Lett. / Experimental investigation on dolomite dissociation into aragonite–magnesite up to 8.5 GPa by Sato (2001)
10.2138/am-2002-0715 / Am. Mineral. / In situ X-ray observation of the reaction dolomite=aragonite+magnesite at 900–1300 K by Shirasaka (2002)
10.1038/nature02181 / Nature / Stability of magnesite and its high-pressure form in the lowermost mantle by Isshiki (2004)
10.2138/am.2005.1685 / Am. Mineral. / Stability of the MgCO3 structures under lower mantle conditions by Skorodumova (2005)
10.2138/am-2004-8-925 / Am. Mineral. / A high pressure X-ray diffraction study of aragonite and the post-aragonite phase transition in CaCO3 by Santillán (2004)
10.1007/s002690000087 / Phys. Chem. Miner. / Compression of witherite to 8 GPa and the crystal structure of BaCO3—II by Holl (2000)
A.R Oganov, and C.W. Glass, Crystal structure prediction using ab initio evolutionary techniques: principles and applications (in preparation).
10.1038/335201a0 / Nature / Crystals from first principles by Maddox (1988)
10.1039/jm9950501269 / J. Mater. Chem. / Evolutionary programming techniques for predicting inorganic crystal structures by Bush (1995)
10.1039/a901227c / Phys. Chem. Chem. Phys. / The prediction of inorganic crystal structures using a genetic algorithm and energy minimization by Woodley (1999)
10.1007/b13934 / Struct. Bond. / Prediction of crystal structures using evolutionary algorithms and related techniques by Woodley (2004)
{'key': '10.1016/j.epsl.2005.10.014_bib17', 'series-title': 'How to Solve It: Modern Heuristics', 'author': 'Michalewicz', 'year': '2004'} / How to Solve It: Modern Heuristics by Michalewicz (2004)
10.1103/PhysRevB.54.11169 / Phys. Rev. / Efficient iterative schemes for ab initio total-energy calculations using a plane wave basis set by Kresse (1996)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. / Generalized gradient approximation made simple by Perdew (1996)
10.1103/PhysRevB.50.17953 / Phys. Rev. / Projector augmented-wave method by Blöchl (1994)
10.1103/PhysRevB.59.1758 / Phys. Rev. / From ultrasoft pseudopotentials to the projector augmented-wave method by Kresse (1999)
10.6028/jres.075A.004 / J. Res. Natl. Bur. Stand., A Phys. Chem. / Refinement of the crystal structure of the aragonite phase of CaCO3 by Dickens (1971)
10.1038/nature02701 / Nature / Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer by Oganov (2004)
10.1073/pnas.0501800102 / Proc. Natl. Acad. Sci. / The high pressure phase of alumina and implications for Earth's D″ layer by Oganov (2005)
10.1007/s00269-004-0428-5 / Phys. Chem. Miner. / A new high-pressure phase of strontium carbonate by Ono (2005)

Dates

Type	When
Created	19 years, 9 months ago (Nov. 21, 2005, 10:21 a.m.)
Deposited	6 years, 7 months ago (Jan. 20, 2019, 5:52 p.m.)
Indexed	2 months ago (June 18, 2025, 3:50 a.m.)
Issued	19 years, 7 months ago (Jan. 1, 2006)
Published	19 years, 7 months ago (Jan. 1, 2006)
Published Print	19 years, 7 months ago (Jan. 1, 2006)

Funders 0

None

BibTeX

@article{Oganov_2006, title={High-pressure phases of CaCO3: Crystal structure prediction and experiment}, volume={241}, ISSN={0012-821X}, url={http://dx.doi.org/10.1016/j.epsl.2005.10.014}, DOI={10.1016/j.epsl.2005.10.014}, number={1–2}, journal={Earth and Planetary Science Letters}, publisher={Elsevier BV}, author={Oganov, Artem R. and Glass, Colin W. and Ono, Shigeaki}, year={2006}, month=jan, pages={95–103} }

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