Formation dynamics of FeN thin films on Cu(100)

Dodi Heryadi; Udo Schwingenschlögl

doi:10.1016/j.cplett.2011.12.029

Formation dynamics of FeN thin films on Cu(100)

Dodi Heryadi, Udo Schwingenschlögl

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Abstract

To investigate the structural and magnetic properties of thin films of FeN we have performed ab initio molecular dynamics simulations of their formation on Cu(100) substrates. The iron nitride layers exhibit a p4gm(2 × 2) reconstruction and order ferromagnetically in agreement with experiment. We establish the dynamics and time scale of the film formation as a function of the film thickness. The process is split in two phases: formation of almost flat FeN layers and optimization of the distance to the substrate. Our calculated magnetic moments are 1.67 μ B, 2.14 μ B, and 2.21 μ B for one, two, and three monolayers of iron nitride. © 2011 Elsevier B.V. All rights reserved.

Original language	English (US)
Pages (from-to)	78-82
Number of pages	5
Journal	Chemical Physics Letters
Volume	523
DOIs	https://doi.org/10.1016/j.cplett.2011.12.029
State	Published - Jan 2012

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KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2011.12.029

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title = "Formation dynamics of FeN thin films on Cu(100)",

abstract = "To investigate the structural and magnetic properties of thin films of FeN we have performed ab initio molecular dynamics simulations of their formation on Cu(100) substrates. The iron nitride layers exhibit a p4gm(2 × 2) reconstruction and order ferromagnetically in agreement with experiment. We establish the dynamics and time scale of the film formation as a function of the film thickness. The process is split in two phases: formation of almost flat FeN layers and optimization of the distance to the substrate. Our calculated magnetic moments are 1.67 μ B, 2.14 μ B, and 2.21 μ B for one, two, and three monolayers of iron nitride. {\textcopyright} 2011 Elsevier B.V. All rights reserved.",

author = "Dodi Heryadi and Udo Schwingenschl{\"o}gl",

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year = "2012",

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AU - Schwingenschlögl, Udo

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PY - 2012/1

Y1 - 2012/1

N2 - To investigate the structural and magnetic properties of thin films of FeN we have performed ab initio molecular dynamics simulations of their formation on Cu(100) substrates. The iron nitride layers exhibit a p4gm(2 × 2) reconstruction and order ferromagnetically in agreement with experiment. We establish the dynamics and time scale of the film formation as a function of the film thickness. The process is split in two phases: formation of almost flat FeN layers and optimization of the distance to the substrate. Our calculated magnetic moments are 1.67 μ B, 2.14 μ B, and 2.21 μ B for one, two, and three monolayers of iron nitride. © 2011 Elsevier B.V. All rights reserved.

AB - To investigate the structural and magnetic properties of thin films of FeN we have performed ab initio molecular dynamics simulations of their formation on Cu(100) substrates. The iron nitride layers exhibit a p4gm(2 × 2) reconstruction and order ferromagnetically in agreement with experiment. We establish the dynamics and time scale of the film formation as a function of the film thickness. The process is split in two phases: formation of almost flat FeN layers and optimization of the distance to the substrate. Our calculated magnetic moments are 1.67 μ B, 2.14 μ B, and 2.21 μ B for one, two, and three monolayers of iron nitride. © 2011 Elsevier B.V. All rights reserved.

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UR - https://linkinghub.elsevier.com/retrieve/pii/S0009261411015247

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DO - 10.1016/j.cplett.2011.12.029

M3 - Article

SN - 0009-2614

VL - 523

SP - 78

EP - 82

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Formation dynamics of FeN thin films on Cu(100)

Abstract

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