Calculations of electronic structure of Ge44Mn 2Ba8 and Ge42Mn4Ba8 clathrates

Chih Kai Yang; Jijun Zhao; Ping Lu Jian

doi:10.1103/PhysRevB.70.073201

Calculations of electronic structure of Ge₄₄Mn ₂Ba₈ and Ge₄₂Mn₄Ba₈ clathrates

Chih Kai Yang^*, Jijun Zhao, Ping Lu Jian

^*Corresponding author for this work

Center for General Education

University of North Carolina at Chapel Hill

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

6 Scopus citations

Abstract

We calculate the electronic structures and magnetism of the germanium clathrate Ge₄₄Mn₂Ba₈ and obtain a magnetic moment of 0.77μ_B per manganese atom, which agrees very well with the experimental result. Further calculations for the Ge₄₂Mn ₄Ba₈ clathrate predict a much higher moment of 2.56μ_B. Detailed analysis of the electronic structures for both cases indicates that magnetism comes solely from the Mn sites and the increased local moment in Ge₄₂Mn₄Ba₈ is due to stronger interaction between Mn atoms.

Original language	English
Article number	073201
Pages (from-to)	073201-1-073201-4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	70
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevB.70.073201
State	Published - 08 2004

Access to Document

10.1103/PhysRevB.70.073201

Cite this

@article{ce9ef1c979b34a3290c65a0fc939ffaf,

title = "Calculations of electronic structure of Ge44Mn 2Ba8 and Ge42Mn4Ba8 clathrates",

abstract = "We calculate the electronic structures and magnetism of the germanium clathrate Ge44Mn2Ba8 and obtain a magnetic moment of 0.77μB per manganese atom, which agrees very well with the experimental result. Further calculations for the Ge42Mn 4Ba8 clathrate predict a much higher moment of 2.56μB. Detailed analysis of the electronic structures for both cases indicates that magnetism comes solely from the Mn sites and the increased local moment in Ge42Mn4Ba8 is due to stronger interaction between Mn atoms.",

author = "Yang, {Chih Kai} and Jijun Zhao and Jian, {Ping Lu}",

year = "2004",

month = aug,

doi = "10.1103/PhysRevB.70.073201",

language = "英语",

volume = "70",

pages = "073201--1--073201--4",

journal = "Physical Review B - Condensed Matter and Materials Physics",

issn = "1098-0121",

publisher = "American Physical Society",

number = "7",

}

TY - JOUR

T1 - Calculations of electronic structure of Ge44Mn 2Ba8 and Ge42Mn4Ba8 clathrates

AU - Yang, Chih Kai

AU - Zhao, Jijun

AU - Jian, Ping Lu

PY - 2004/8

Y1 - 2004/8

N2 - We calculate the electronic structures and magnetism of the germanium clathrate Ge44Mn2Ba8 and obtain a magnetic moment of 0.77μB per manganese atom, which agrees very well with the experimental result. Further calculations for the Ge42Mn 4Ba8 clathrate predict a much higher moment of 2.56μB. Detailed analysis of the electronic structures for both cases indicates that magnetism comes solely from the Mn sites and the increased local moment in Ge42Mn4Ba8 is due to stronger interaction between Mn atoms.

AB - We calculate the electronic structures and magnetism of the germanium clathrate Ge44Mn2Ba8 and obtain a magnetic moment of 0.77μB per manganese atom, which agrees very well with the experimental result. Further calculations for the Ge42Mn 4Ba8 clathrate predict a much higher moment of 2.56μB. Detailed analysis of the electronic structures for both cases indicates that magnetism comes solely from the Mn sites and the increased local moment in Ge42Mn4Ba8 is due to stronger interaction between Mn atoms.

UR - http://www.scopus.com/inward/record.url?scp=19544364666&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.70.073201

DO - 10.1103/PhysRevB.70.073201

M3 - 文章

AN - SCOPUS:19544364666

SN - 1098-0121

VL - 70

SP - 073201-1-073201-4

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 7

M1 - 073201

ER -

Calculations of electronic structure of Ge₄₄Mn ₂Ba₈ and Ge₄₂Mn₄Ba₈ clathrates

Abstract

Access to Document

Other files and links

Fingerprint

Cite this