Structural response in FeCl2 (iron chloride) to pressure-induced electro-magnetic transitions

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High pressure (HP) synchrotron x-ray diffraction studies were carried out in FeCl{sub 2} together with resistivity (R) studies, at various temperatures and pressures to 65 GPa using diamond anvil cells. This work follows a previous HP {sup 57}Fe Mossbauer study in which two pressure-induced (PI) electronic transitions were found interpreted as: (i) quenching of the orbital-term contribution to the hyperfine field concurring with a tilting of the magnetic moment by 55 degrees and (ii) collapse of the magnetism concurring with a sharp decrease of the isomer shift (IS). The R(P,T) studies affirm that the cause the collapse of the magnetism ... continued below

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Taylor, R D; Rozenberg, G Kh; Pasternak, M P; Gorodetsky, P; Xu, W M; Dubrovinsky, L S et al. January 1, 2009.

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High pressure (HP) synchrotron x-ray diffraction studies were carried out in FeCl{sub 2} together with resistivity (R) studies, at various temperatures and pressures to 65 GPa using diamond anvil cells. This work follows a previous HP {sup 57}Fe Mossbauer study in which two pressure-induced (PI) electronic transitions were found interpreted as: (i) quenching of the orbital-term contribution to the hyperfine field concurring with a tilting of the magnetic moment by 55 degrees and (ii) collapse of the magnetism concurring with a sharp decrease of the isomer shift (IS). The R(P,T) studies affirm that the cause the collapse of the magnetism is a PI p-d correlation breakdown, leading to an insulator-metal transition at {approx}45 GPa and is not due to a spi-Ir,crossover (S=2 {yields} S=0). The structure response to the pressure evolution of the two electronic phase transitions starting at low pressures (LP), through an intermediate phase (IP) 30-57 GPa, and culminating in a high-pressure phase (HP), P >32 GPa, can clearly be quantified. The IP-HP phases coexist through the 32-57 GPa range in which the HP abundance increases monotonically at the expense of the IP phase. At the LP-IP interface no volume change is detected, yet the c-axis increases and the a-axis shrinks by 0.21 Angstroms and 0.13 Angstroms, respectively. The fit of the equation of state of the combined LP-IP phases yields a bulk modulus K{sub 0} = 35.3(1.8) GPa. The intralayer CI-CI distances increases, but no change is observed in Fe-CI bond-length nor are there substantial changes in the interlayer spacing. The pressure-induced electronic IP-HP transition leads to a first-order structural phase transition characterized by a decrease in Fe-CI bond length and an abrupt drop in V(P) by {approx}3.5% accompanying the correlation breakdown. In this transition no symmetry change is detected,and the XRD data could be satisfactorily fitted with the CdI{sub 2} structure. The bulk modulus of the HP phase is practically the same as that of the LP-IP phases suggesting negligible changes in the phonon density of state.

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  • Journal Name: Phys. Rev. B

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  • Report No.: LA-UR-09-00642
  • Report No.: LA-UR-09-642
  • Grant Number: AC52-06NA25396
  • Office of Scientific & Technical Information Report Number: 956366
  • Archival Resource Key: ark:/67531/metadc932450

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  • January 1, 2009

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  • Nov. 13, 2016, 7:26 p.m.

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  • Dec. 12, 2016, 6:41 p.m.

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Taylor, R D; Rozenberg, G Kh; Pasternak, M P; Gorodetsky, P; Xu, W M; Dubrovinsky, L S et al. Structural response in FeCl2 (iron chloride) to pressure-induced electro-magnetic transitions, article, January 1, 2009; [New Mexico]. (digital.library.unt.edu/ark:/67531/metadc932450/: accessed October 15, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.