First-Principles Study of Orthorhombic Perovskites MgSiO3 up to 120 GPa and Its Geophysical Implications

High-pressure behaviour of orthorhombic MgSiO3 perovskite crystal is simulated by using the density functional theory and plane-wave pseudopotentials approach up to 120 GPa pressure at zero temperature. The lattice constants and mass density of the MgSiO3 crystal as functions of pressure are computed, and the corresponding bulk modulus and bulk velocity are evaluated. Our theoretical results agree well with the high-pressure experimental data. A thermodynamic method is introduced to correct the temperature effect on the O-K first-principles results of bulk wave velocity, bulk modulus and mass density in lower mantle PIT range. Taking into account the temperature corrections, the corrected mass density, bulk modulus and bulk wave velocity of MgSiO3-perovskite are estimated from the first-principles results to be 2%, 4%, and 1% lower than the preliminary reference Earth model （PREM） profile, respectively, supporting the possibility of a pure perovskite lower mantle model.

Origin of the Diamonds within Chromitite from the Mirdita Ophiolite(Albania) and its Geological Significance

Geophysical investigations and laboratory experiments show evidence for possible subduction of ancient oceanic crust.Geological and mineralogical observations suggest that subducted oceanic crust is recycled into the upper mantle.The subduction is supported by the recovery of superdeep diamonds from kimberlites and the presence of crustal materials in ophiolitic chromitites and their host peridotites.What is the mechanism?Here we report the new discovery of ophiolite-hosted diamonds in the podiform chromitites within the Skenderbeu massif from the Mirdita ophiolite in the western part of Neo-Tethys(Fig.1).The diamonds are characterized by exceedingly light C isotopes(δ13CPDB^-25‰),which can be interpreted as evidence for subduction of organic carbon from Earth’s surface.The diamonds are also characterized by an exceptionally large range inδ15Nair(-12.9‰to+25.5‰),accompanied by a low N aggregation state(Fig.2).On the other hand,materials sparsely included in diamonds include amorphous material,Ni-Mn-Co alloy,nanocrystals(20 nm×20 nm)of calcium silicate with an orthorhombic perovskite structure(Ca-Pv),and fluids(Fig.3).We consider that the Skenderbeu diamonds nucleated and grew from a C-saturated,NiMnCo-rich melt derived from a subducted slab of ocean crust and lithosphere in the deep mantle environment.The environment is in the diamond stability field or near the top of the mantle transition zone.The new discovery of diamonds from the Mirdita ophiolite provides a valuable opportunity to understand deep cycling of subducted oceanic crust and mantle(i.e.,composition and process).