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Orthorhombic to monoclinic phase transition in NbNiTe2

Publication ,  Journal Article
Neu, J; Wei, K; He, X; Delaire, O; Baumbach, R; Feng, Z; Fu, Y; Zhang, Y; Singh, DJ; Siegrist, T
Published in: Physical Review B
October 11, 2019

The high-temperature structural phase transition of the potential topological material NbNiTe2 has been studied in detail. At high temperatures, the structure is centrosymmetric with orthorhombic space-group P2m2n21a(Pmna), and distorts at 373 K to a monoclinic structure with space-group P1121a(P1121/a). A small signature in specific heat and commensurate small release of entropy are observed at the phase transition. The low-temperature monoclinic structure retains its inversion center and the symmetries associated with the orthorhombic c axis. At high temperatures, NbNiTe2 shows phonon instabilities at Γ and X, which are removed by the structural phase transition. The electronic structure of NbNiTe2 is only slightly affected, indicating this ferroic phase transition is primarily due to steric effects.

Duke Scholars

Published In

Physical Review B

DOI

EISSN

2469-9969

ISSN

2469-9950

Publication Date

October 11, 2019

Volume

100

Issue

14

Related Subject Headings

  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
 

Citation

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Neu, J., Wei, K., He, X., Delaire, O., Baumbach, R., Feng, Z., … Siegrist, T. (2019). Orthorhombic to monoclinic phase transition in NbNiTe2. Physical Review B, 100(14). https://doi.org/10.1103/PhysRevB.100.144102
Neu, J., K. Wei, X. He, O. Delaire, R. Baumbach, Z. Feng, Y. Fu, Y. Zhang, D. J. Singh, and T. Siegrist. “Orthorhombic to monoclinic phase transition in NbNiTe2.” Physical Review B 100, no. 14 (October 11, 2019). https://doi.org/10.1103/PhysRevB.100.144102.
Neu J, Wei K, He X, Delaire O, Baumbach R, Feng Z, et al. Orthorhombic to monoclinic phase transition in NbNiTe2. Physical Review B. 2019 Oct 11;100(14).
Neu, J., et al. “Orthorhombic to monoclinic phase transition in NbNiTe2.” Physical Review B, vol. 100, no. 14, Oct. 2019. Scopus, doi:10.1103/PhysRevB.100.144102.
Neu J, Wei K, He X, Delaire O, Baumbach R, Feng Z, Fu Y, Zhang Y, Singh DJ, Siegrist T. Orthorhombic to monoclinic phase transition in NbNiTe2. Physical Review B. 2019 Oct 11;100(14).

Published In

Physical Review B

DOI

EISSN

2469-9969

ISSN

2469-9950

Publication Date

October 11, 2019

Volume

100

Issue

14

Related Subject Headings

  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences