سنة النشر

2019

العنوان

Half-metallic properties of the new Zr2RhB inverse Heusler alloy with CuHg2Ti-type structure

الخلاصة

We examined the electronic and magnetic properties of the new inverse Heusler alloy Zr2RhB with CuHg2Ti-type structure, based on first principles calculation. We found that the Zr2RhB Heusler alloy appears to possess the halfmetallic property, and that the spin-minority states are formed with an energy gap equal to 0.45 eV and a magnetic moment of 2.00 μ?/f.u. Finally, the Zr2RhB alloy appears to preserve a full-spin polarisation at the Fermi state, with a wide range of lattice constants, from 6.80 A to 7.70 A, thus forming an alloy appropriate for applications of the spintronic. © 2019 Published by Elsevier Ltd.