Magnetism in binary and encapsulated Co-Mn clusters

Abu Asaduzzaman, J. A. Blackman

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Two types of Co-Mn clusters are investigated in calculations within the framework of density-functional theory. First, we consider Co clusters with 19 and 38 atoms and study the effect on the magnetization of single and double substitution by Mn atoms. In all cases the preferred configurations have the Mn aligning parallel with the Co moments resulting in an enhancement of the cluster magnetization that is consistent with experimental observation. Second, we consider Co clusters encapsulated in a shell of Mn and again examine the effect of the Mn on the Co magnetization. The Co moment at the center of the core is somewhat smaller than that of bulk Co while the net moment on the Co atoms at the interface with the Mn is significantly reduced. A reduction in the Co moment is also observed in experimental measurements. In order to match the level of reduction seen experimentally, it is necessary to postulate some degree of alloying.

Original languageEnglish (US)
Article number134417
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume82
Issue number13
DOIs
StatePublished - Oct 11 2010

Fingerprint

Magnetism
Magnetization
moments
Atoms
magnetization
atoms
Alloying
Density functional theory
Substitution reactions
axioms
alloying
substitutes
density functional theory
augmentation
configurations

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

@article{8693e0ec7fe748e389e93c7024e1f3bb,
title = "Magnetism in binary and encapsulated Co-Mn clusters",
abstract = "Two types of Co-Mn clusters are investigated in calculations within the framework of density-functional theory. First, we consider Co clusters with 19 and 38 atoms and study the effect on the magnetization of single and double substitution by Mn atoms. In all cases the preferred configurations have the Mn aligning parallel with the Co moments resulting in an enhancement of the cluster magnetization that is consistent with experimental observation. Second, we consider Co clusters encapsulated in a shell of Mn and again examine the effect of the Mn on the Co magnetization. The Co moment at the center of the core is somewhat smaller than that of bulk Co while the net moment on the Co atoms at the interface with the Mn is significantly reduced. A reduction in the Co moment is also observed in experimental measurements. In order to match the level of reduction seen experimentally, it is necessary to postulate some degree of alloying.",
author = "Abu Asaduzzaman and Blackman, {J. A.}",
year = "2010",
month = "10",
day = "11",
doi = "10.1103/PhysRevB.82.134417",
language = "English (US)",
volume = "82",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "13",

}

Magnetism in binary and encapsulated Co-Mn clusters. / Asaduzzaman, Abu; Blackman, J. A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 82, No. 13, 134417, 11.10.2010.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Magnetism in binary and encapsulated Co-Mn clusters

AU - Asaduzzaman, Abu

AU - Blackman, J. A.

PY - 2010/10/11

Y1 - 2010/10/11

N2 - Two types of Co-Mn clusters are investigated in calculations within the framework of density-functional theory. First, we consider Co clusters with 19 and 38 atoms and study the effect on the magnetization of single and double substitution by Mn atoms. In all cases the preferred configurations have the Mn aligning parallel with the Co moments resulting in an enhancement of the cluster magnetization that is consistent with experimental observation. Second, we consider Co clusters encapsulated in a shell of Mn and again examine the effect of the Mn on the Co magnetization. The Co moment at the center of the core is somewhat smaller than that of bulk Co while the net moment on the Co atoms at the interface with the Mn is significantly reduced. A reduction in the Co moment is also observed in experimental measurements. In order to match the level of reduction seen experimentally, it is necessary to postulate some degree of alloying.

AB - Two types of Co-Mn clusters are investigated in calculations within the framework of density-functional theory. First, we consider Co clusters with 19 and 38 atoms and study the effect on the magnetization of single and double substitution by Mn atoms. In all cases the preferred configurations have the Mn aligning parallel with the Co moments resulting in an enhancement of the cluster magnetization that is consistent with experimental observation. Second, we consider Co clusters encapsulated in a shell of Mn and again examine the effect of the Mn on the Co magnetization. The Co moment at the center of the core is somewhat smaller than that of bulk Co while the net moment on the Co atoms at the interface with the Mn is significantly reduced. A reduction in the Co moment is also observed in experimental measurements. In order to match the level of reduction seen experimentally, it is necessary to postulate some degree of alloying.

UR - http://www.scopus.com/inward/record.url?scp=78049360051&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78049360051&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.82.134417

DO - 10.1103/PhysRevB.82.134417

M3 - Article

VL - 82

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 13

M1 - 134417

ER -