Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite

MA Chaojie; WU Xiao; MA Yangyang; HE Kaihua; JI Guangfu

doi:10.11858/gywlxb.20190862

Volume 34 Issue 2

Apr 2020

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Chinese Journal of High Pressure Physics > 2020 > 34(2): 022201.

MA Chaojie, WU Xiao, MA Yangyang, HE Kaihua, JI Guangfu. Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite[J]. Chinese Journal of High Pressure Physics, 2020, 34(2): 022201. doi: 10.11858/gywlxb.20190862

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MA Chaojie, WU Xiao, MA Yangyang, HE Kaihua, JI Guangfu. Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite[J]. Chinese Journal of High Pressure Physics, 2020, 34(2): 022201. doi: 10.11858/gywlxb.20190862

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Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite

doi: 10.11858/gywlxb.20190862

MA Chaojie^1
,,
WU Xiao¹,
MA Yangyang¹,
HE Kaihua^{1,*
,
,},
JI Guangfu²

1.
Faculty of Maths and Physics, China University of Geosciences, Wuhan 430074, Hubei, China
2.
National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621999, Sichuan, China

Received Date: 06 Dec 2019
Rev Recd Date: 26 Dec 2019

Abstract

Abstract

Magnesiosiderite [(Mg,Fe)CO₃] is one of the main carriers for carbon to enter the deep Earth, and the presence of iron will cause great change of mineral physical properties. The effects of ferrous iron’s spin transition on the thermodynamic properties of magnesiosiderite have been studied by first principle calculations. The volume of (Mg,Fe)CO₃low spin state (LS) decreases, while the volume of (Mg,Fe)CO₃ high spin state (HS) decreases slightly at lower temperature and increases at higher temperature, as compared with that of MgCO₃. In the whole range of temperature and pressure studied in this work, the volume of LS state is smaller than that of HS state. The thermal expansions of HS and LS magnesiosiderite reduce with respect to that of MgCO₃, respectively. The effects of coexistence of HS and LS have been considered, in which the calculations show that the thermal expansion and velocity present abnormal increase and decrease, respectively. Meanwhile, the abnormal change peaks could move to high pressure as the increasing of temperature.
- magnesiosiderite [(Mg,Fe)CO₃],
- spin transition,
- thermodynamic property,
- mixed spin state,
- first principle

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References

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Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite

doi: 10.11858/gywlxb.20190862

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Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite

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