Spin and orbital moments of YCo5

Isao Kitagawa; Masafumi Shirai; Naoshi Suzuki; E. T. Kulatov; S. V. Halilov

doi:10.1016/s0921-4526(97)00248-2

Spin and orbital moments of YCo₅

Isao Kitagawa, Masafumi Shirai, Naoshi Suzuki, E. T. Kulatov, S. V. Halilov

RIEC - Computing System Platforms Division

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

4 Citations (Scopus)

Abstract

The total energy and the spin moments of YCo₅ are calculated by using the FLAPW method as a function of volume. In contrast to the LMTO-ASA method, the FLAPW method gives the equilibrium volume which agrees with the observation. But, as to the volume dependences of the spin moments both the FLAPW and the LMTO-ASA methods give almost the same results. The orbital moments as well as the spin moments of YCo₅ are studied by carrying out LMTO-ASA calculations with inclusion of the spin-orbit interaction. The results give the correct trend as to the magnitude of the spin and the orbital moments of Co atoms.

Original language	English
Pages (from-to)	563-564
Number of pages	2
Journal	Physica B: Condensed Matter
Volume	237-238
DOIs	https://doi.org/10.1016/s0921-4526(97)00248-2
Publication status	Published - 1997 Jul

Keywords

Band structure calculation
Intermetallic compounds
YCo

Access to Document

10.1016/s0921-4526(97)00248-2

Cite this

@article{0f955e71b2c74c5f93ec73345d8f6a35,

title = "Spin and orbital moments of YCo5",

abstract = "The total energy and the spin moments of YCo5 are calculated by using the FLAPW method as a function of volume. In contrast to the LMTO-ASA method, the FLAPW method gives the equilibrium volume which agrees with the observation. But, as to the volume dependences of the spin moments both the FLAPW and the LMTO-ASA methods give almost the same results. The orbital moments as well as the spin moments of YCo5 are studied by carrying out LMTO-ASA calculations with inclusion of the spin-orbit interaction. The results give the correct trend as to the magnitude of the spin and the orbital moments of Co atoms.",

keywords = "Band structure calculation, Intermetallic compounds, YCo",

author = "Isao Kitagawa and Masafumi Shirai and Naoshi Suzuki and Kulatov, {E. T.} and Halilov, {S. V.}",

note = "Funding Information: I. Kitagawa, M. Shirai and N. Suzuki would like to thank Emeritus Prof. Yanase and Prof. Harima of University of Osaka Prefecture for providing us with their FLAPW program. The FLAPW calculations have been performed with the use of VPP500 at Supercomputer Center, ISSP, University of Tokyo. One of us (E.K.) acknowledges financial support by grant No 94-02-03680-a from the RFBI.",

year = "1997",

month = jul,

doi = "10.1016/s0921-4526(97)00248-2",

language = "English",

volume = "237-238",

pages = "563--564",

journal = "Physica B: Condensed Matter",

issn = "0921-4526",

publisher = "Elsevier",

}

TY - JOUR

T1 - Spin and orbital moments of YCo5

AU - Kitagawa, Isao

AU - Shirai, Masafumi

AU - Suzuki, Naoshi

AU - Kulatov, E. T.

AU - Halilov, S. V.

N1 - Funding Information: I. Kitagawa, M. Shirai and N. Suzuki would like to thank Emeritus Prof. Yanase and Prof. Harima of University of Osaka Prefecture for providing us with their FLAPW program. The FLAPW calculations have been performed with the use of VPP500 at Supercomputer Center, ISSP, University of Tokyo. One of us (E.K.) acknowledges financial support by grant No 94-02-03680-a from the RFBI.

PY - 1997/7

Y1 - 1997/7

N2 - The total energy and the spin moments of YCo5 are calculated by using the FLAPW method as a function of volume. In contrast to the LMTO-ASA method, the FLAPW method gives the equilibrium volume which agrees with the observation. But, as to the volume dependences of the spin moments both the FLAPW and the LMTO-ASA methods give almost the same results. The orbital moments as well as the spin moments of YCo5 are studied by carrying out LMTO-ASA calculations with inclusion of the spin-orbit interaction. The results give the correct trend as to the magnitude of the spin and the orbital moments of Co atoms.

AB - The total energy and the spin moments of YCo5 are calculated by using the FLAPW method as a function of volume. In contrast to the LMTO-ASA method, the FLAPW method gives the equilibrium volume which agrees with the observation. But, as to the volume dependences of the spin moments both the FLAPW and the LMTO-ASA methods give almost the same results. The orbital moments as well as the spin moments of YCo5 are studied by carrying out LMTO-ASA calculations with inclusion of the spin-orbit interaction. The results give the correct trend as to the magnitude of the spin and the orbital moments of Co atoms.

KW - Band structure calculation

KW - Intermetallic compounds

KW - YCo

UR - http://www.scopus.com/inward/record.url?scp=0031187225&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031187225&partnerID=8YFLogxK

U2 - 10.1016/s0921-4526(97)00248-2

DO - 10.1016/s0921-4526(97)00248-2

M3 - Article

AN - SCOPUS:0031187225

SN - 0921-4526

VL - 237-238

SP - 563

EP - 564

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

ER -

Spin and orbital moments of YCo₅

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this