First-principles studies on the structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers

Jian Tao Wang; Zhi Qiang Li; Yoshiyuki Kawazoe

doi:10.1088/0953-8984/10/43/007

First-principles studies on the structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers

Jian Tao Wang, Zhi Qiang Li, Yoshiyuki Kawazoe

New Industry Creation Hatchery Center (NICHe)

Tohoku University

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

The structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers with the tetragonal L1₀ ordered structure in paramagnetic, ferromagnetic, and three antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. By means of total-energy minimization, the lattice constants for their ground states are estimated. It is found that L1₀ ordered Cr/Ag has an AF1-type antiferromagnetic ground state with a large local moment of 3.30μ_B at the Cr site, L1₀ ordered Mn/Ag has an AF2-type antiferromagnetic ground state with a large local moment of 3.63μ_B at the Mn site, and the L1₀ ordered Fe/Ag monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.75μ_B at the Fe site.

Original language	English
Pages (from-to)	9655-9662
Number of pages	8
Journal	Journal of Physics Condensed Matter
Volume	10
Issue number	43
DOIs	https://doi.org/10.1088/0953-8984/10/43/007
Publication status	Published - 1998 Nov 2

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title = "First-principles studies on the structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers",

abstract = "The structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers with the tetragonal L10 ordered structure in paramagnetic, ferromagnetic, and three antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. By means of total-energy minimization, the lattice constants for their ground states are estimated. It is found that L10 ordered Cr/Ag has an AF1-type antiferromagnetic ground state with a large local moment of 3.30μB at the Cr site, L10 ordered Mn/Ag has an AF2-type antiferromagnetic ground state with a large local moment of 3.63μB at the Mn site, and the L10 ordered Fe/Ag monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.75μB at the Fe site.",

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T1 - First-principles studies on the structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers

AU - Wang, Jian Tao

AU - Li, Zhi Qiang

AU - Kawazoe, Yoshiyuki

PY - 1998/11/2

Y1 - 1998/11/2

N2 - The structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers with the tetragonal L10 ordered structure in paramagnetic, ferromagnetic, and three antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. By means of total-energy minimization, the lattice constants for their ground states are estimated. It is found that L10 ordered Cr/Ag has an AF1-type antiferromagnetic ground state with a large local moment of 3.30μB at the Cr site, L10 ordered Mn/Ag has an AF2-type antiferromagnetic ground state with a large local moment of 3.63μB at the Mn site, and the L10 ordered Fe/Ag monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.75μB at the Fe site.

AB - The structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers with the tetragonal L10 ordered structure in paramagnetic, ferromagnetic, and three antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. By means of total-energy minimization, the lattice constants for their ground states are estimated. It is found that L10 ordered Cr/Ag has an AF1-type antiferromagnetic ground state with a large local moment of 3.30μB at the Cr site, L10 ordered Mn/Ag has an AF2-type antiferromagnetic ground state with a large local moment of 3.63μB at the Mn site, and the L10 ordered Fe/Ag monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.75μB at the Fe site.

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First-principles studies on the structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers

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