Conventional electronic structure of MgB2 and ZrB2: LDA vs. de Haas-v. Alphen and ARPES data

S. L. Drechsler; H. Rosner; J. M. An; W. E. Pickett; V. D.P. Servedio; T. Mishonov; E. Forzani; K. Winzer

doi:10.1023/A:1023477832477

Conventional electronic structure of MgB₂ and ZrB₂: LDA vs. de Haas-v. Alphen and ARPES data

S. L. Drechsler, H. Rosner, J. M. An, W. E. Pickett, V. D.P. Servedio, T. Mishonov, E. Forzani, K. Winzer

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

2 Scopus citations

Abstract

We compare full potential LDA band calculations of the Fermi surfaces areas and band masses of MgB₂ and ZrB₂ previously reported ^1,3-5 and new dHvA data. Discrepancies in areas in MgB₂ can be removed by a small shift of σ bands relative to π bands. Comparison of effective masses lead to orbit averaged el-ph coupling constants λ_σ=1.3 and λπ=0.5, whereas for ZrB₂ only weak el-ph coupling with λ < 0.3 is found. The ARPES data⁶ can be also well described by the LDA showing the presence of surface states.

Original language	English (US)
Pages (from-to)	1175-1180
Number of pages	6
Journal	Journal of Low Temperature Physics
Volume	131
Issue number	5-6
DOIs	https://doi.org/10.1023/A:1023477832477
State	Published - Jun 2003
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
General Materials Science
Condensed Matter Physics

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title = "Conventional electronic structure of MgB2 and ZrB2: LDA vs. de Haas-v. Alphen and ARPES data",

abstract = "We compare full potential LDA band calculations of the Fermi surfaces areas and band masses of MgB2 and ZrB2 previously reported 1,3-5 and new dHvA data. Discrepancies in areas in MgB2 can be removed by a small shift of σ bands relative to π bands. Comparison of effective masses lead to orbit averaged el-ph coupling constants λσ=1.3 and λπ=0.5, whereas for ZrB2 only weak el-ph coupling with λ < 0.3 is found. The ARPES data6 can be also well described by the LDA showing the presence of surface states.",

author = "Drechsler, {S. L.} and H. Rosner and An, {J. M.} and Pickett, {W. E.} and Servedio, {V. D.P.} and T. Mishonov and E. Forzani and K. Winzer",

year = "2003",

month = jun,

doi = "10.1023/A:1023477832477",

language = "English (US)",

volume = "131",

pages = "1175--1180",

journal = "Journal of Low Temperature Physics",

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publisher = "Springer New York",

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TY - JOUR

T1 - Conventional electronic structure of MgB2 and ZrB2

T2 - LDA vs. de Haas-v. Alphen and ARPES data

AU - Drechsler, S. L.

AU - Rosner, H.

AU - An, J. M.

AU - Pickett, W. E.

AU - Servedio, V. D.P.

AU - Mishonov, T.

AU - Forzani, E.

AU - Winzer, K.

PY - 2003/6

Y1 - 2003/6

N2 - We compare full potential LDA band calculations of the Fermi surfaces areas and band masses of MgB2 and ZrB2 previously reported 1,3-5 and new dHvA data. Discrepancies in areas in MgB2 can be removed by a small shift of σ bands relative to π bands. Comparison of effective masses lead to orbit averaged el-ph coupling constants λσ=1.3 and λπ=0.5, whereas for ZrB2 only weak el-ph coupling with λ < 0.3 is found. The ARPES data6 can be also well described by the LDA showing the presence of surface states.

AB - We compare full potential LDA band calculations of the Fermi surfaces areas and band masses of MgB2 and ZrB2 previously reported 1,3-5 and new dHvA data. Discrepancies in areas in MgB2 can be removed by a small shift of σ bands relative to π bands. Comparison of effective masses lead to orbit averaged el-ph coupling constants λσ=1.3 and λπ=0.5, whereas for ZrB2 only weak el-ph coupling with λ < 0.3 is found. The ARPES data6 can be also well described by the LDA showing the presence of surface states.

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Conventional electronic structure of MgB₂ and ZrB₂: LDA vs. de Haas-v. Alphen and ARPES data

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