P–V equation of state for Fe₂P and pressure-induced phase transition in Fe₃P

References

• Andersson , W. W. and Ahrens , T. J. 1994 . An equation of state for liquid iron and implications for the Earth's core . J. Geophys. Res. , 99 : 4273 – 4284 .
   Google Scholar
• Wasson , J. T. 1974 . Meteorites: Classification and Properties , Berlin : Springer-Verlag .
   Google Scholar
• Li , J. and Fei , Y. 2003 . “ Experimental constraints on core composition ” . In The Mantle and Core , Edited by: Carlson , R. 521 – 546 . Elsevier .
   Google Scholar
• Birch , F. 1952 . Elasticity and constitution of the Earth's interior . J. Geophys. Res. , 57 : 227 – 286 .
   Web of Science ®Google Scholar
• Fei , Y. and Bertka , C. M. 2000 . Structure type and bulk modulus of Fe3S, a new iron-sulfur compound . Am. Mineral. , 85 : 1830 – 1833 .
   Google Scholar
• Li , J. 2002 . Compression of Fe3C to 30 GPa at room temperature . Phys. Chem. Miner. , 19 : 166 – 169 .
   Google Scholar
• Lin , J. F. 2004 . Magnetic transition and sound velocities of Fe3S at high pressure: implications for Earth and planetary cores . Earth Planet. Sci. Lett. , 226 : 33 – 40 .
   Google Scholar
• Lin , J. F. 2004 . Magnetic transition in compressed Fe3C from X-ray emission spectroscopy . Phys. Rev. , B 70 : 212405
   Google Scholar
• Ringwood , A. E. 1979 . Origin of the Earth and Moon , New York : Springer-Verlag .
   Google Scholar
• Scott , H. P. 2001 . Stability and equation of state of Fe3C to 73 GPa: implications for carbon in the Earth's core . Geophys. Res. Lett. , 28 : 1875 – 1878 .
   Web of Science ®Google Scholar
• Williams , Q. and Knittle , E. 1997 . Constraints on core chemistry from the pressure dependence of the bulk modulus . Earth Planet. Sci. Lett. , 100 : 49 – 59 .
   Google Scholar
• Chabot , N. L. and Jones , J. H. 2003 . The parameterization of solid metal–liquid metal partitioning of siderophile elements . Meteorit. Planet. Sci. , 38 : 1425 – 1436 .
   Google Scholar
• Hewins , R. H. and Goldstein , J. I. Proc. Lunar Sci. Conf. 8th . Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids , pp. 1625 – 1683 .
   Google Scholar
• Randich , E. and Goldstein , J. I. 1975 . Nonisothermal finite diffusion-controlled growth in ternary systems . Metall. Mater. Trans , A 6 : 1553 – 1560 .
   Google Scholar
• Scott , H. P. 2007 . Equation of state and high-pressure stability of Fe3P-schreibersite: implications for phosphorus storage in planetary cores . Geophys. Res. Lett. , 34 L06302, doi:10.1029/2006GL029160
   Google Scholar
• Howard , J. 2007 . Structural evolution of schreibersite, Fe₃P, at high pressure, Fall Meet. Suppl., Eos Trans. Am. Geophys. Union , 88 ( 52 )
   Google Scholar
• Buseck , P. R. 1969 . Phosphide from meteorites: barringerite, a new iron–nickel mineral . Science , 165 : 169 – 171 .
   Google Scholar
• Britvin , S. N. 2002 . Allabogdanite, (Fe,Ni)₂P, a new mineral from the Onello meteorite: the occurrence and crystal structure, Am. Mineral , 87 : 1245 – 1249 .
   Google Scholar
• Senateur , J. P. 1976 . Etude par spectrometrie mossbauer des transformations cristallographiques sous hautes pressions de MnFeAs et Fe2P . Mater. Res. Bull. , 11 : 631 – 636 .
   Google Scholar
• Kadomatsu , H. 1985 . Pressure-induced antiferromagnetism of Fe2P . J. Phys. Soc. Jap. , 54 : 2690 – 2699 .
   Google Scholar
• Fujii , H. 1988 . Neutron scattering investigation of itinerant electron system Fe2P . J. Phys. Soc. Jap. , 57 : 2143 – 2153 .
   Google Scholar
• Eriksson , O. 1988 . Itinerant ferromagnetism in Fe2P . J. Magn. Magn. Mater. , 74 : 347 – 358 .
   Google Scholar
• Zach , R. 2004 . Magneto-elastic properties and electroic structure analysis of the (Fe1−x,Nix)2P system . J. Alloys Compd. , 383 : 322 – 327 .
   Google Scholar
• Wasson , J. T. and Wang , J. 1986 . A nonmagmatic origin of group-IIE iron meteorites . Geochim. Cosmochim. Acta , 50 : 725 – 732 .
   Google Scholar
• Fujishiro , I. 1982 . “ Viscosities and glass transition pressures in the methanol-ethanol-water system ” . In AIRAPT Edited by: Backman , C. M. , Johannison , T. and Tegner , L. Uppsala, , Sweden Arkitektkopia
   Google Scholar
• Mao , H. K. 1978 . Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R1 fluorescence pressure gauge from 0.06 to 1 Mbar . J. Appl. Phys. , 49 : 3276 – 3283 .
   Web of Science ®Google Scholar
• Hammersley , A. P. 1996 . Two-dimensional detector software: from real detector to idealised image or two-theta scan . High Press. Res. , 14 : 235 – 248 .
   Web of Science ®Google Scholar
• Larson , A. C. and Von Dreele , R. B. 2000 . General Structure Analysis System (GSAS) 86 – 748 . Los Alamos National Laboratory Report LAUR
   Google Scholar
• Toby , A. P. 2001 . EXPGUI, a graphical user interface for GSAS . J. Appl. Cryst. , 34 : 210 – 213 .
   Web of Science ®Google Scholar
• Blöch , P. E. 1994 . Projector augmented-wave method . Phys. Rev. , B 50 : 17953 – 17979 .
   Google Scholar
• Kresse , G. and Jouber , D. 1999 . From ultrasoft pseudopotentials to the projector augmented-wave method . Phys. Rev. , B 59 : 1758 – 1775 .
   Web of Science ®Google Scholar
• Perdew , J. 1996 . Generalized gradient approximation made simple . Phys. Rev. Lett. , 77 : 3865 – 3868 .
   PubMed Web of Science ®Google Scholar
• Kresse , G. and Furthmüller , J. 1996 . Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set . Comput. Mater. Sci. , 6 : 15 – 50 .
   Web of Science ®Google Scholar
• Kresse , G. and Furthmüller , J. 1996 . Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set . Phys. Rev. , B 54 : 11169 – 11186 .
   Web of Science ®Google Scholar
• Kresse , G. and Hafner , J. 1993 . Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium . Phys. Rev. , B : 14251 – 14269 .
   Google Scholar
• Kresse , G. and Hafner , J. 1994 . Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements . J. Phys. Condens. Matter. , 6 : 8245 – 8257 .
   Web of Science ®Google Scholar
• Holzwarth , N. A.W. 2005 . Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids . Phys. Rev. , B 55 : 2005 – 2017 .
   Google Scholar
• Fujiwara , H. 1980 . Pressure-induced magntic transition in Fe2P . J. Magn. Magn. Mater. , 21 : 262 – 268 .
   Google Scholar
• Dudarev , S. L. 1998 . Electron-energy-loss spectra and the structural stability of nickel oxide: an LSDA+U study . Phys. Rev. , B 57 : 1505 – 1509 .
   Google Scholar
• Fujiwara , H. 1981 . Anisotropic lattice compression in Fe2P . Phys. Soc. Jap. , 50 : 3533 – 3534 .
   Google Scholar
• Birch , F. 1978 . Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300 degrees K . J. Geophys. Res. , 83 : 1257 – 1268 .
   Web of Science ®Google Scholar
• Jephcoat , A. P. 1986 . Static compression of iron to 78 GPa with rare-gas solids as pressure-transmitting media . J. Geophys. Res. , 91 : 4677 – 4684 .
   Web of Science ®Google Scholar
• Mao , H. K. 1990 . Static compression of iron to 300 GPa and Fe0.8Ni0.2 alloy to 260 GPa: implications for composition of the core . J. Geophys. Res. , 95 : 21737 – 21742 .
   Web of Science ®Google Scholar
• Saxena , S. K. and Dubrovinsky , L. S. 1998 . Iron at extreme conditions: In situ X-ray study of P–V–T relations in an internally heated diamond anvil cell and modeling of interatomic parameters . Petroleum , 6 : 535 – 545 .
   Google Scholar
• Stixrude , L. 1994 . Composition and temperature of Earth's inner core . Phys. Rev. , B 50 : 6442 – 6445 .
   Google Scholar
• Vocaldo , L. 1997 . First principles calculations on crystalline and liquid iron at Earth's core conditions . Faraday Discuss , 106 : 205 – 217 .
   Google Scholar
• Tsuchiya , T. 2006 . Spin transition in magnesiowustite in Earth's lower mantle . Phys. Rev. Lett. , 96 : 198501
   Google Scholar
• Dera , P. 2008 . High-pressure polymorphism of Fe2P and its implications for meteorites and Earth's core . Geophys. Res. Lett. , 35 : L10301
   Web of Science ®Google Scholar
• Fujii , H. 1979 . Polarized neutron-diffraction study of Fe2P single crystal . J. Phys. Soc. Jap. , 46 : 1616 – 1621 .
   Google Scholar
• Scheerlinck , D. and Lergrand , E. 1978 . Neutron diffraction study of the magnetic structure of Fe2P . Solid State Commun. , 25 : 181 – 184 .
   Google Scholar