TY - JOUR AU - Uvarov, V.N. AU - Uvarov, N.V. AU - Zagorodnii, V.V. AU - Kruk, A.S. PY - 2022/08/29 Y2 - 2024/03/29 TI - Effect of Atomic Substitutions on the Electronic Structure of Pt1 – xNixMnSb Alloys (x = 0.0–1.0) JF - Ukrainian Journal of Physics JA - Ukr. J. Phys. VL - 67 IS - 5 SE - Fields and elementary particles DO - 10.15407/ujpe67.5.327 UR - https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2022129 SP - 327 AB - <p>Using zone calculations in the FLAPW (the full-potential linearized augmented-plane-waves) model, the information on the energy, charge, and spin characteristics of Pt<sub>1-x</sub>Ni<sub>x</sub>MnSb alloys (x = 0.0÷1.0) is obtained. It is established that, with an increase in the concentration of nickel atoms in Pt<sub>1-x</sub>Ni<sub>x</sub>MnSb alloys, the interatomic space density of electrons decreases, covalent bonds weaken, and the cohesive energies of the alloys decrease. The dominant contributions to the formation of magnetic moments in Pt<sub>1-x</sub>Ni<sub>x</sub>MnSb alloys are made by 3d electrons of manganese atoms. In alloys with x ≥ 0.50, the complete polarization of Fermi electrons is registered, which converts these alloys to a half-metallic state.</p> ER -