Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V2Ni2Z′Z′′ (Z′ = Al, Ga and Z′′ = Sb, Sn) using ab initio computational methods DOI Creative Commons
N. A. Merali, Nurgul S. Soltanbek, Nursultan E. Sagatov

и другие.

Journal of Applied Physics, Год журнала: 2025, Номер 137(18)

Опубликована: Май 8, 2025

The electronic, magnetic, elastic, and vibrational properties of new double half-Heusler (DHH) alloys V2Ni2Z′Z′′ are investigated within the density functional theory (DFT) calculations. All demonstrated mechanical, dynamic, thermodynamic stability complied with Slater–Pauling rule. analysis their magnetic states indicates that all DHH under investigation exhibit a ferromagnetic ground state. Electronic property reveals each alloy behaves as half-metal, an energy gap in spin-up channel ranging from 0.103 to 0.653 eV. Based on B/G ratio, brittleness–ductility assessment yielded values around 2.5, indicating ductile. combination properties, half-metallicity, mechanical resilience makes these promising candidates for high-performance spintronics devices other advanced technological applications.

Язык: Английский

Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V2Ni2Z′Z′′ (Z′ = Al, Ga and Z′′ = Sb, Sn) using ab initio computational methods DOI Creative Commons
N. A. Merali, Nurgul S. Soltanbek, Nursultan E. Sagatov

и другие.

Journal of Applied Physics, Год журнала: 2025, Номер 137(18)

Опубликована: Май 8, 2025

The electronic, magnetic, elastic, and vibrational properties of new double half-Heusler (DHH) alloys V2Ni2Z′Z′′ are investigated within the density functional theory (DFT) calculations. All demonstrated mechanical, dynamic, thermodynamic stability complied with Slater–Pauling rule. analysis their magnetic states indicates that all DHH under investigation exhibit a ferromagnetic ground state. Electronic property reveals each alloy behaves as half-metal, an energy gap in spin-up channel ranging from 0.103 to 0.653 eV. Based on B/G ratio, brittleness–ductility assessment yielded values around 2.5, indicating ductile. combination properties, half-metallicity, mechanical resilience makes these promising candidates for high-performance spintronics devices other advanced technological applications.

Язык: Английский

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