2019年2月22日 · We investigated two important properties related to σO, namely, formation energy (Eform) and migration barrier energy (Emig) for both oxygen vacancy (VO) and oxygen interstitial (O i), in the Ca 3...

2014年9月5日 · In combination with earlier data the present study shows that a spin collapse of in octahedra will be triggered if the Fe–O bond length reaches a critical value of (Fe–O) 1.9 Å. Earlier reported results for the compressibility of the cation coordination polyhedra are substantially revised, with GPa, GPa, and GPa for the high-spin phase.

1999年4月1日 · Combining with the electron hopping mechanism between Fe 2+ and Fe 3+ in semiconductivity materials, this new Fe 3+-rich perovskite polymorph may provide new data to clarify the electrical conductivity of the lower mantle, based on the mineralogical model with magnesiuwustite (Mw) and perovskite (Pv).

1978年2月1日 · Only single crystals of Ca3 Fe2 Ge3 O12 40 microns in size were reported by E.F. Riebling [8, 9] from the use of molten bismuth germanate glasses. In this paper we analyse the optimal conditions for obtaining these crystals when starting from the initial composition as indicated by Riebling.

2015年7月29日 · The high-pressure behavior of natural henritermierite garnet with close to end-member composition was studied at pressures up to 80 GPa using single-crystal synchrotron x-ray diffraction, Raman spectroscopy, and quantum-mechanical calculations based on density functional theory.

The thermodynamic properties of garnets in the system (Fe2+, Mn2+, Mg, Ca)3A12Si3O12 are reviewed. The thermodynamic properties of the three end-member garnets pyrope, almandine and grossular, including their volume, enthalpy of formation, entropy, compressibility and thermal expansion have been well determined.

In this study, we apply atomistic simulation techniques to examine the energetics of defects, dopants, and Ca-ion diffusion in Ca3Fe2Si3O12. The calculations suggest that the Ca/Fe anti-site defect is the most favorable intrinsic defect causing such significant disorder, which would be sensitive to synthesis conditions.

单磁性亚晶格反铁磁性石榴石 Ca3 Fe2 Ge3 O12 和 Ca3 Mn2 Ge3 O12 的通量增长 Materials Research Bulletin ( IF 5.4) Pub Date : 1978-02-01, DOI: 10.1016/0025-5408(78)90079-x

1999年2月1日 · The crystal structures of seven crystals from five garnet mineral species have been studied through single-crystal X-ray diffraction methods incorporating scattering factor refinement procedures.

在最近的一份出版物中，报告了新发现的石榴石 {Ca3}[Fe2](Fe1.5V1.5)O12 的磁性数据。 本文报道了 {M3−2xCa2x} [Fe2](Fe3−xVx)O12、M≡Y 或 Bi 系统中石榴石的磁性和晶体学数据。