A new phase in the binary iron nitrogen system?-The prediction of iron pernitride, FeN2

Chemistry - A European Journal

Volumn 17, Issue 9, 2011, Pages 2598-2603

  Wessel, Michael ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

density functional calculations; electronic structure; high pressure chemistry; iron; nitride

Indexed keywords

CHEMICAL BONDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; IRON; NICKEL COMPOUNDS; NITRIDES; NITROGEN;

ANIONIC CHARGE; DENSITY FUNCTIONALS; ELECTRONIC STRUCTURE CALCULATIONS; HIGH PRESSURE; HIGH-PRESSURE CHEMISTRY; IRON SATURATION; MAGNETIC PHASE; REACTION TEMPERATURE;

IRON COMPOUNDS;

EID: 79951805166     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201003143     Document Type: Article

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