Self-consistent electronic-band-structure calculation for Hg3AsF6

R. A. De Groot; J. J.M. Buiting; M. Weger; F. M. Mueller

doi:10.1103/PhysRevB.31.2881

Self-consistent electronic-band-structure calculation for Hg3AsF6

R. A. De Groot^*, J. J.M. Buiting, M. Weger, F. M. Mueller

^*Corresponding author for this work

Racah Institute of Physics

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

13 Scopus citations

Abstract

The electronic structure of commensurate Hg3AsF6 is calculated using the self-consistent relativistic augmented-spherical-wave method. The results are compared with earlier pseudopotential calculations. The beat pattern as observed in the de Haas van Alphen spectrum of Hg3- AsF6 is interpreted as arising from the small spin-orbit interaction. The spin configuration of the electron states at the Fermi energy for the hypothetical commensurate structure is also reported.

Original language	English
Pages (from-to)	2881-2885
Number of pages	5
Journal	Physical Review B
Volume	31
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevB.31.2881
State	Published - 1985

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10.1103/PhysRevB.31.2881

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abstract = "The electronic structure of commensurate Hg3AsF6 is calculated using the self-consistent relativistic augmented-spherical-wave method. The results are compared with earlier pseudopotential calculations. The beat pattern as observed in the de Haas van Alphen spectrum of Hg3- AsF6 is interpreted as arising from the small spin-orbit interaction. The spin configuration of the electron states at the Fermi energy for the hypothetical commensurate structure is also reported.",

author = "{De Groot}, {R. A.} and Buiting, {J. J.M.} and M. Weger and Mueller, {F. M.}",

year = "1985",

doi = "10.1103/PhysRevB.31.2881",

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AU - De Groot, R. A.

AU - Buiting, J. J.M.

AU - Weger, M.

AU - Mueller, F. M.

PY - 1985

Y1 - 1985

N2 - The electronic structure of commensurate Hg3AsF6 is calculated using the self-consistent relativistic augmented-spherical-wave method. The results are compared with earlier pseudopotential calculations. The beat pattern as observed in the de Haas van Alphen spectrum of Hg3- AsF6 is interpreted as arising from the small spin-orbit interaction. The spin configuration of the electron states at the Fermi energy for the hypothetical commensurate structure is also reported.

AB - The electronic structure of commensurate Hg3AsF6 is calculated using the self-consistent relativistic augmented-spherical-wave method. The results are compared with earlier pseudopotential calculations. The beat pattern as observed in the de Haas van Alphen spectrum of Hg3- AsF6 is interpreted as arising from the small spin-orbit interaction. The spin configuration of the electron states at the Fermi energy for the hypothetical commensurate structure is also reported.

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Self-consistent electronic-band-structure calculation for Hg3AsF6

Abstract

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