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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
Citation: 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
shu

Effect of Spin Transition of Iron on Thermodynamic Properties of Magnesiosiderite

doi: 10.11858/gywlxb.20190862
  • 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
  • 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)CO3 low 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.

     

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