High-pressure phase transformations of FeS: Novel phases at conditions of planetary cores

Earth and Planetary Science Letters

Volumn 272, Issue 1-2, 2008, Pages 481-487

  Ono, Shigeaki ^a,b   Oganov, Artem R ^c,d   Brodholt, John P ^a   Vočadlo, Lidunka ^a   Wood, Ian G ^a   Lyakhov, Andriy ^c   Glass, Colin W ^c   Côté, Alexander S ^a   Price, G David ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b JAPAN AGENCY FOR MARINE EARTH SCIENCE AND TECHNOLOGY   (Japan)

^c ETH ZURICH   (Switzerland)

^d MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

evolutionary crystal structure prediction; first principles calculation; high pressure; iron sulfide; magnetic property; phase transformation

Indexed keywords

(I ,J) CONDITIONS; ANTIFERROMAGNETIC (AFM); ATOMIC COORDINATES; BULK MODULUS; CELL PARAMETERS; CELL SHAPES; CRYSTAL STRUCTURE PREDICTION (CSP); DISTORTION (DEFORMATION); ELSEVIER (CO); EXPERIMENTAL OBSERVATIONS; FIRST ORDERS; FIRST-PRINCIPLES CALCULATIONS; HIGH PRESSURE (HP); HIGH-PRESSURE PHASE; IRON SULFIDES; LOW PRESSURE (LP); LOW TEMPERATURE (LTR); MAGNETIC CONFIGURATIONS; MONOCLINIC PHASE; NEW PHASE (X-PHASE); NON MAGNETIC; STABLE PHASE; TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31); TROILITE; TWO PHASES; VOLUME REDUCTION (VR);

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; CRYSTAL STRUCTURE; CRYSTAL SYMMETRY; EXPERIMENTS; FARM BUILDINGS; IRON; MAGNETIC MATERIALS; MAGNETISM; MATHEMATICAL TRANSFORMATIONS; PARAMETER ESTIMATION; PHASE STABILITY; PRESSURE; SODIUM ALLOYS; ZINC SULFIDE;

PHASE TRANSITIONS;

CRYSTAL STRUCTURE; EXPERIMENTAL MINERALOGY; HIGH PRESSURE; IRON SULFIDE; MAGNETIC PROPERTY; PHASE TRANSITION;

EID: 47749089688     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2008.05.017     Document Type: Article

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