Anisotropy of thermal expansion and electronic topological transitions in zn and cd under pressure

D. L. Novikov; M. I. Katsnelson; A. V. Trefilov; A. J. Freeman; N. E. Christensen; A. Svane; C. O. Rodriguez

doi:10.1103/PhysRevB.59.4557

Anisotropy of thermal expansion and electronic topological transitions in zn and cd under pressure

D. L. Novikov, M. I. Katsnelson, A. V. Trefilov, A. J. Freeman, N. E. Christensen, A. Svane, C. O. Rodriguez

Physics and Astronomy

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

54 Scopus citations

Abstract

Using first-principles local-density electronic structure calculations we investigate the evolution of the Fermi surface of hcp Zn and Cd under hydrostatic pressure. We find a sequence of electronic topological transitions (ETT) and a region of pressure where several of these ETT’s almost coincide, which apparently leads to the experimentally observed anomalies in their lattice parameters. A change of sign of the anisotropic thermal expansion is predicted in this critical region for temperatures below the Debye temperature.

Original language	English (US)
Pages (from-to)	4557-4560
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	59
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevB.59.4557
State	Published - 1999

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.59.4557

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title = "Anisotropy of thermal expansion and electronic topological transitions in zn and cd under pressure",

abstract = "Using first-principles local-density electronic structure calculations we investigate the evolution of the Fermi surface of hcp Zn and Cd under hydrostatic pressure. We find a sequence of electronic topological transitions (ETT) and a region of pressure where several of these ETT{\textquoteright}s almost coincide, which apparently leads to the experimentally observed anomalies in their lattice parameters. A change of sign of the anisotropic thermal expansion is predicted in this critical region for temperatures below the Debye temperature.",

author = "Novikov, {D. L.} and Katsnelson, {M. I.} and Trefilov, {A. V.} and Freeman, {A. J.} and Christensen, {N. E.} and A. Svane and Rodriguez, {C. O.}",

year = "1999",

doi = "10.1103/PhysRevB.59.4557",

language = "English (US)",

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

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Anisotropy of thermal expansion and electronic topological transitions in zn and cd under pressure. / Novikov, D. L.; Katsnelson, M. I.; Trefilov, A. V.; Freeman, A. J.; Christensen, N. E.; Svane, A.; Rodriguez, C. O.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 59, No. 7, 1999, p. 4557-4560.

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

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T1 - Anisotropy of thermal expansion and electronic topological transitions in zn and cd under pressure

AU - Novikov, D. L.

AU - Katsnelson, M. I.

AU - Trefilov, A. V.

AU - Freeman, A. J.

AU - Christensen, N. E.

AU - Svane, A.

AU - Rodriguez, C. O.

PY - 1999

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AB - Using first-principles local-density electronic structure calculations we investigate the evolution of the Fermi surface of hcp Zn and Cd under hydrostatic pressure. We find a sequence of electronic topological transitions (ETT) and a region of pressure where several of these ETT’s almost coincide, which apparently leads to the experimentally observed anomalies in their lattice parameters. A change of sign of the anisotropic thermal expansion is predicted in this critical region for temperatures below the Debye temperature.

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Anisotropy of thermal expansion and electronic topological transitions in zn and cd under pressure

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