Abstract
Abstract: MAX phases are a family of ternary layered compounds with formal stoichiometry M2AX and have a layered hexagonal structure. Calculations with the B3LYP density functional show that, by varying the ratio between the chromium and iron in the MAX phase (Cr4 – xFex)0.5SiC, it is possible to change the lattice parameters and the magnetic moment on metal atoms. In this phase, a partial substitution of one metal for the other can be considered a technique of intended variation of their magnetic properties.
Original language | English |
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Pages (from-to) | 640-644 |
Number of pages | 5 |
Journal | Physics of Metals and Metallography |
Volume | 123 |
Issue number | 7 |
DOIs | |
State | Published - Jul 2022 |
Keywords
- MAX phases
- substitution effect
- theory of density functional