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Dive into the research topics where Renata M. Wentzcovitch is active.

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Featured researches published by Renata M. Wentzcovitch.


Geophysical Research Letters | 2004

Equation of state and elasticity of FeSi

R. Caracas; Renata M. Wentzcovitch

[1]xa0FeSi may be one of the main products of the reaction between molten iron and mantle silicates. We use both the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA) to Density Functional Theory (DFT) to analyze the structural behavior of FeSi and to determine its elastic properties up to high pressures. According to our calculations, at lowermost mantle pressure conditions, FeSi is in the B2 (CsCl-type) structure. The B20-B2 transition takes place at 30 GPa in LDA and 40 GPa in GGA and is characterized by a 0.35 g/cm3 shift in density.


Physical Review Letters | 2006

Spin transition in magnesiowüstite in earth's lower mantle.

Taku Tsuchiya; Renata M. Wentzcovitch; Cesar R. S. da Silva; Stefano de Gironcoli


Physical Review B | 1992

Energy versus free-energy conservation in first-principles molecular dynamics

Renata M. Wentzcovitch; José Luís Martins; Philip B. Allen


Physical Review B | 1993

Resistivity of the high-temperature metallic phase of VO2.

Philip B. Allen; Renata M. Wentzcovitch; Werner W. Schulz; P.C. Canfield


Physical Review B | 2003

Electronic and crystal structure of fully strained LaNiO3 films

A. Yu. Dobin; K. R. Nikolaev; I. N. Krivorotov; Renata M. Wentzcovitch; E. Dan Dahlberg; A. M. Goldman


Physical Review B | 1993

Phase diagram and thermodynamic properties of solid magnesium in the quasiharmonic approximation

J. D. Althoff; Philip B. Allen; Renata M. Wentzcovitch; John A. Moriarty


Physica Status Solidi B-basic Solid State Physics | 2006

Pressure induced high spin to low spin transition in magnesiowüstite

Taku Tsuchiya; Renata M. Wentzcovitch; Cesar R. S. da Silva; Stefano de Gironcoli; Jun Tsuchiya


Physical Review B | 1992

Band structure and electronic transport properties of the superconductor NbO.

Werner W. Schulz; L. Forro; C. Kendziora; Renata M. Wentzcovitch; D. Mandrus; L. Mihaly; Philip B. Allen


Physical Review B | 1990

Martensitic transformation of Ca

Renata M. Wentzcovitch; Henry Krakauer


Reviews in Mineralogy & Geochemistry | 2010

Multi-Mbar Phase Transitions in Minerals

Koichiro Umemoto; Renata M. Wentzcovitch

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Koichiro Umemoto

Tokyo Institute of Technology

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Stefano de Gironcoli

International School for Advanced Studies

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Han Hsu

National Central University

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A. Yu. Dobin

University of Minnesota

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