Half-metallic ferromagnetism of MnBi in zincblende phase
نویسندگان
چکیده
The full-potential augmented plane wave plus local orbitals method within density-functional theory is used to predict that MnBi in the zincblende phase is a true half-metallic ferromagnet with a magnetic moment of 4:000mB per formula. This phase of MnBi is found to be robust against volume changes from 12% to þ30% and remains qualitatively the same under various exchange-correlation approximations. r 2003 Elsevier Science B.V. All rights reserved. PACS: 75.90.+w; 75.30. m; 71.20. b; 71.20.Be
منابع مشابه
Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides.
An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent half-metallic ferromagnets with large half-metallic gaps (up to 0.88 eV). They are mechanically stable and approximately 0.31-0.53 eV per formula unit higher...
متن کاملHalf-metallic ferromagnetism of MnBi in the zinc-blende structure
The full-potential augmented plane wave plus local orbital method within density-functional theory is used to predict that MnBi in the zinc-blende structure is a true half-metallic ferromagnet with a magnetic moment of 4.000mB per formula unit. This contrasts with the zinc-blende phase of MnAs, which is only a nearly half-metallic ferromagnet. This half-metallic ferromagnetic behavior of zinc-b...
متن کاملDesign of spintronic materials with simple structures.
A brief comparison of conventional electronics and spintronics is given. The key features of half metallic binary compounds with the zincblende structure are presented, using MnAs as an example. We discuss the interactions responsible for the half metallic properties. Special properties of superlattices and a digital ferromagnetic heterostructure incorporating zincblende half metals are also di...
متن کاملExchange interactions, spin waves, and Curie temperature in zincblende half-metallic sp-electron ferromagnets: the case of CaZ (Z = N, P, As, Sb).
Using first-principle calculations in conjunction with the frozen-magnon technique we have calculated the exchange interactions and spin-wave dispersions in the series of the zincblende half-metallic II-V (CaZ, Z = N, P, As, Sb) ferromagnets. The calculated exchange constants are used to estimate the Curie temperature within the random phase approximation. The large Stoner gap in these alloys g...
متن کاملStability of ferromagnetism in the half-metallic pnictides and similar compounds: a first-principles study.
Based on first-principles electron structure calculations and employing the frozen-magnon approximation, we study the exchange interactions in a series of transition-metal binary alloys crystallizing in the zinc-blende structure and calculate the Curie temperature within both the mean-field approximation and random-phase approximation. We study two Cr compounds, CrAs and CrSe, and four Mn compo...
متن کامل