Title of article
Crystal chemistry of molybdenum phosphides from density functional theory calculations Original Research Article
Author/Authors
Bjorn Winkler، نويسنده , , Karsten Knorr، نويسنده , , Marek Hytha، نويسنده , , Victor Milman ، نويسنده , , Victor Soto، نويسنده , , Miguel Avalos، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
7
From page
405
To page
411
Abstract
The structures, bonding and relative thermodynamic stabilities of the crystalline molybdenum phosphides Mo3P, Mo8P5, Mo4P3, MoP, MoP2, MoP4, have been investigated by density functional theory calculations. The elastic stiffness coefficients for MoP and MoP2 have been predicted.
Keywords
Molybdenum , Density functional theory , Phosphides
Journal title
Journal of Physics and Chemistry of Solids
Serial Year
2003
Journal title
Journal of Physics and Chemistry of Solids
Record number
1308177
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