Effect of dilution on the spin pairing transition in rhombohedral carbonates

Barbara Lavina; Przemyslaw Dera; Robert T. Downs; Oliver Tschauner; Wenge Yang; Olga Shebanova; Guoyin Shen

doi:10.1080/08957959.2010.485391

Effect of dilution on the spin pairing transition in rhombohedral carbonates

Barbara Lavina, Przemyslaw Dera, Robert T. Downs, Oliver Tschauner, Wenge Yang, Olga Shebanova, Guoyin Shen

Geosciences

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Abstract

The compressibility of an iron-bearing magnesite (Mg_0.87Fe ²⁺_0.12Ca_0.01)CO₃ was determined by means of single crystal diffraction up to 64GPa. Up to 49 GPa the pressure-evolution of the unit cell volume of the solid solution with 12% of Fe²⁺ can be described by a third-order Birch-Murnaghan equation of state with parameters V₀=281.0(5)Å³, K ₀=102.8(3)GPa, K'₀=5.44. The spin pairing of the Fe ²⁺ d-electrons occurs between 49 and 52 GPa, as evidenced by a discontinuous volume change. The transition pressure is increased by about 5GPa compared with the iron end-member; an effect consistent with a cooperative contribution of adjacent clusters to the spin transition. The trend is, however, opposite in the periclase-wüstite solid solution. Differences among the two structures, in particular in the Fe-Fe interactions, that might explain the different behavior are discussed.

Original language	English (US)
Pages (from-to)	224-229
Number of pages	6
Journal	High Pressure Research
Volume	30
Issue number	2
DOIs	https://doi.org/10.1080/08957959.2010.485391
State	Published - Jun 2010

Keywords

Compressibility
Magnesite
Siderite
Single crystal diffraction
Spin transition

ASJC Scopus subject areas

Condensed Matter Physics

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10.1080/08957959.2010.485391

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title = "Effect of dilution on the spin pairing transition in rhombohedral carbonates",

abstract = "The compressibility of an iron-bearing magnesite (Mg0.87Fe 2+0.12Ca0.01)CO3 was determined by means of single crystal diffraction up to 64GPa. Up to 49 GPa the pressure-evolution of the unit cell volume of the solid solution with 12% of Fe2+ can be described by a third-order Birch-Murnaghan equation of state with parameters V0=281.0(5){\AA}3, K 0=102.8(3)GPa, K'0=5.44. The spin pairing of the Fe 2+ d-electrons occurs between 49 and 52 GPa, as evidenced by a discontinuous volume change. The transition pressure is increased by about 5GPa compared with the iron end-member; an effect consistent with a cooperative contribution of adjacent clusters to the spin transition. The trend is, however, opposite in the periclase-w{\"u}stite solid solution. Differences among the two structures, in particular in the Fe-Fe interactions, that might explain the different behavior are discussed.",

keywords = "Compressibility, Magnesite, Siderite, Single crystal diffraction, Spin transition",

author = "Barbara Lavina and Przemyslaw Dera and Downs, {Robert T.} and Oliver Tschauner and Wenge Yang and Olga Shebanova and Guoyin Shen",

note = "Funding Information: The UNLV High Pressure Science and Engineering Center is supported by DOE-NNSA Cooperative Agreement DE-FC52-06NA262740. Diffraction data were collected at HPCAT (Sector 16), APS, Argonne National Laboratory. HPCAT is supported by CIW, CDAC, UNLV and LLNL through funding from DOE-NNSA, DOE-BES and NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. We thank GSECARS and COMPRES for the use of the Gas Loading System. HPSynC is supported as part of the Efree, an Energy Frontier Research Center funded by DOE-BES under Award DE-SC0001057.",

year = "2010",

month = jun,

doi = "10.1080/08957959.2010.485391",

language = "English (US)",

volume = "30",

pages = "224--229",

journal = "High Pressure Research",

issn = "0895-7959",

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T1 - Effect of dilution on the spin pairing transition in rhombohedral carbonates

AU - Lavina, Barbara

AU - Dera, Przemyslaw

AU - Downs, Robert T.

AU - Tschauner, Oliver

AU - Yang, Wenge

AU - Shebanova, Olga

AU - Shen, Guoyin

N1 - Funding Information: The UNLV High Pressure Science and Engineering Center is supported by DOE-NNSA Cooperative Agreement DE-FC52-06NA262740. Diffraction data were collected at HPCAT (Sector 16), APS, Argonne National Laboratory. HPCAT is supported by CIW, CDAC, UNLV and LLNL through funding from DOE-NNSA, DOE-BES and NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. We thank GSECARS and COMPRES for the use of the Gas Loading System. HPSynC is supported as part of the Efree, an Energy Frontier Research Center funded by DOE-BES under Award DE-SC0001057.

PY - 2010/6

Y1 - 2010/6

N2 - The compressibility of an iron-bearing magnesite (Mg0.87Fe 2+0.12Ca0.01)CO3 was determined by means of single crystal diffraction up to 64GPa. Up to 49 GPa the pressure-evolution of the unit cell volume of the solid solution with 12% of Fe2+ can be described by a third-order Birch-Murnaghan equation of state with parameters V0=281.0(5)Å3, K 0=102.8(3)GPa, K'0=5.44. The spin pairing of the Fe 2+ d-electrons occurs between 49 and 52 GPa, as evidenced by a discontinuous volume change. The transition pressure is increased by about 5GPa compared with the iron end-member; an effect consistent with a cooperative contribution of adjacent clusters to the spin transition. The trend is, however, opposite in the periclase-wüstite solid solution. Differences among the two structures, in particular in the Fe-Fe interactions, that might explain the different behavior are discussed.

AB - The compressibility of an iron-bearing magnesite (Mg0.87Fe 2+0.12Ca0.01)CO3 was determined by means of single crystal diffraction up to 64GPa. Up to 49 GPa the pressure-evolution of the unit cell volume of the solid solution with 12% of Fe2+ can be described by a third-order Birch-Murnaghan equation of state with parameters V0=281.0(5)Å3, K 0=102.8(3)GPa, K'0=5.44. The spin pairing of the Fe 2+ d-electrons occurs between 49 and 52 GPa, as evidenced by a discontinuous volume change. The transition pressure is increased by about 5GPa compared with the iron end-member; an effect consistent with a cooperative contribution of adjacent clusters to the spin transition. The trend is, however, opposite in the periclase-wüstite solid solution. Differences among the two structures, in particular in the Fe-Fe interactions, that might explain the different behavior are discussed.

KW - Compressibility

KW - Magnesite

KW - Siderite

KW - Single crystal diffraction

KW - Spin transition

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JO - High Pressure Research

JF - High Pressure Research

IS - 2

ER -

Effect of dilution on the spin pairing transition in rhombohedral carbonates

Abstract

Keywords

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