We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
First-principles calculations of electronic, magnetic, mechanical and thermoelectric properties of tetragonal Mn<sub>2</sub>PtSn-Ferromagnetic phase: Ab initio calculations.
- Authors
El Krimi, Y.; Masrour, R.
- Abstract
We present structural, electronic, magnetic, elastic and transport properties of tetragonal Mn2PtSn (MPS) bulk material in stannite (ST) phase, we will use a FP-LAPW method based on DFT under GGA, TB-mBJ and GGA+U as implemented in the WIEN2k code. From the ferromagnetic state, band structure (spin-down/spin-up channel) calculations reveal an indirect bandgap/zero-bandgap. Mn2PtSn shows inverse tetragonal crystal structures with ferromagnetic spin order at zero temperature. The elastic stability criterion shows that the MPS crystal satisfies the mechanical stability under applied at 0 GPa. The related mechanical properties such as bulk modulus (B), shear modulus (G), Young's modulus (E), and Poisson's ratio (ν) are also studied for polycrystalline of MPS; the calculated B/G value (B/ G = 2. 9 6) shows that MPS behaves in a ductile manner. Hence, this study of transport properties suggests their potential thermoelectric applications at high temperatures. To our knowledge, the results obtained show that this ternary alloy is advantageous for materials employed in spintronic devices.
- Subjects
POISSON'S ratio; AB-initio calculations; ELASTICITY; MODULUS of rigidity; TERNARY alloys; BULK modulus
- Publication
Modern Physics Letters B, 2024, Vol 38, Issue 17, p1
- ISSN
0217-9849
- Publication type
Article
- DOI
10.1142/S0217984924500805