Vacancy induced structural and magnetic transition in MnCo1-xGe

Jian Tao Wang; Ding Sheng Wang; Changfeng Chen; O. Nashima; T. Kanomata; H. Mizuseki; Y. Kawazoe

doi:10.1063/1.2424273

Vacancy induced structural and magnetic transition in MnCo_1-xGe

Jian Tao Wang, Ding Sheng Wang, Changfeng Chen, O. Nashima, T. Kanomata, H. Mizuseki, Y. Kawazoe

New Industry Creation Hatchery Center (NICHe)

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

123 Citations (Scopus)

Abstract

The authors report ab initio total energy calculations on the first-order structural transition of the ferromagnetic Mn Co1-x Ge (0.00≤x≤0.25) intermetallic compound. They show that increasing Co vacancies induce a transition from an orthorhombic structure at 0≤x≤0.08 to a hexagonal structure at x>0.08. A concomitant high-to-low moment magnetic transition and a large magnetovolume effect occur due to the change of the symmetry and the resulting coupling distance between the magnetic atoms. These results provide an excellent account for the experimental results and reveal the crucial role of the Co vacancies in determining the relative structural stability and the magnetic properties of Mn Co1-x Ge.

Original language	English
Article number	262504
Journal	Applied Physics Letters
Volume	89
Issue number	26
DOIs	https://doi.org/10.1063/1.2424273
Publication status	Published - 2006

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

Access to Document

10.1063/1.2424273

Cite this

@article{c11df1972df44ab2bf7039224751ce69,

title = "Vacancy induced structural and magnetic transition in MnCo1-xGe",

abstract = "The authors report ab initio total energy calculations on the first-order structural transition of the ferromagnetic Mn Co1-x Ge (0.00≤x≤0.25) intermetallic compound. They show that increasing Co vacancies induce a transition from an orthorhombic structure at 0≤x≤0.08 to a hexagonal structure at x>0.08. A concomitant high-to-low moment magnetic transition and a large magnetovolume effect occur due to the change of the symmetry and the resulting coupling distance between the magnetic atoms. These results provide an excellent account for the experimental results and reveal the crucial role of the Co vacancies in determining the relative structural stability and the magnetic properties of Mn Co1-x Ge.",

author = "Wang, {Jian Tao} and Wang, {Ding Sheng} and Changfeng Chen and O. Nashima and T. Kanomata and H. Mizuseki and Y. Kawazoe",

note = "Funding Information: This study was supported by the NSFC and MOP of China. One of the authors (C. C.) acknowledges support by the U.S. Department of Energy. The authors are also thankful to the crew of the Center for Computational Materials Science at IMR, Tohoku University for their support at the SR8000 supercomputing facilities.",

year = "2006",

doi = "10.1063/1.2424273",

language = "English",

volume = "89",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics Publising LLC",

number = "26",

}

TY - JOUR

T1 - Vacancy induced structural and magnetic transition in MnCo1-xGe

AU - Wang, Jian Tao

AU - Wang, Ding Sheng

AU - Chen, Changfeng

AU - Nashima, O.

AU - Kanomata, T.

AU - Mizuseki, H.

AU - Kawazoe, Y.

N1 - Funding Information: This study was supported by the NSFC and MOP of China. One of the authors (C. C.) acknowledges support by the U.S. Department of Energy. The authors are also thankful to the crew of the Center for Computational Materials Science at IMR, Tohoku University for their support at the SR8000 supercomputing facilities.

PY - 2006

Y1 - 2006

N2 - The authors report ab initio total energy calculations on the first-order structural transition of the ferromagnetic Mn Co1-x Ge (0.00≤x≤0.25) intermetallic compound. They show that increasing Co vacancies induce a transition from an orthorhombic structure at 0≤x≤0.08 to a hexagonal structure at x>0.08. A concomitant high-to-low moment magnetic transition and a large magnetovolume effect occur due to the change of the symmetry and the resulting coupling distance between the magnetic atoms. These results provide an excellent account for the experimental results and reveal the crucial role of the Co vacancies in determining the relative structural stability and the magnetic properties of Mn Co1-x Ge.

AB - The authors report ab initio total energy calculations on the first-order structural transition of the ferromagnetic Mn Co1-x Ge (0.00≤x≤0.25) intermetallic compound. They show that increasing Co vacancies induce a transition from an orthorhombic structure at 0≤x≤0.08 to a hexagonal structure at x>0.08. A concomitant high-to-low moment magnetic transition and a large magnetovolume effect occur due to the change of the symmetry and the resulting coupling distance between the magnetic atoms. These results provide an excellent account for the experimental results and reveal the crucial role of the Co vacancies in determining the relative structural stability and the magnetic properties of Mn Co1-x Ge.

UR - http://www.scopus.com/inward/record.url?scp=33846115653&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33846115653&partnerID=8YFLogxK

U2 - 10.1063/1.2424273

DO - 10.1063/1.2424273

M3 - Article

AN - SCOPUS:33846115653

SN - 0003-6951

VL - 89

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 26

M1 - 262504

ER -

Vacancy induced structural and magnetic transition in MnCo_1-xGe

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this