Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1591932 | Solid State Communications | 2014 | 4 Pages |
Abstract
•The enthalpies of formation of 5 phases are calculated at 0 K using the DFT.•The phases are Mn3Si, Mn5Si2, Mn5Si3, MnSi and Mn4Si7.•Calculated physical properties are compared to previous calculations and experiments.•Enthalpies of formation are discussed.
After a careful survey of the literature, the enthalpies of formation of Mn3Si, Mn5Si2, Mn5Si3, MnSi and Mn4Si7 have been calculated at 0 K using the density functional theory. The calculated physical properties are compared to previous calculations and experiments. The enthalpies of formation of the phases are finally discussed.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Alexandre Berche, Jean-Claude Tédenac, Philippe Jund,