Optical properties, lattice dynamics, and structural phase transition in hexagonal 2H-BaMn O3 single crystals

T. N. Stanislavchuk, A. P. Litvinchuk, Rongwei Hu, Young Hun Jeon, Sung Dae Ji, Sang-Wook Cheong, A. A. Sirenko

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Optical properties and lattice dynamics of hexagonal 2H-BaMnO3 single crystals are studied experimentally in a wide temperature range by means of rotating analyzer ellipsometry and Raman scattering. The magnitude of the direct electronic band gap is found to be Eg=3.2eV. At room temperature the far-infrared (IR) ellipsometry spectra reveal six IR-active phonons; two of them are polarized along the c axis and four are polarized within the a-b plane. Seven phonon modes are identified in the Raman scattering experiments. Group theoretical mode analysis and complementary density functional theory lattice dynamics calculations are consistent with the 2H-BaMnO3 structure belonging to the polar P63mc space group at room temperature. All observed vibrational modes are assigned to specific eigenmodes of the lattice. The neutron diffraction measurements reveal a structural phase transition upon cooling below TC=130±5K, which is accompanied by a lattice symmetry change from P63mc to P63cm. Simultaneously, at temperatures below TC several additional IR- and Raman-active modes are detected in experimental spectra. This confirms the occurrence of a structural transition, which is possibly associated with the appearance of electrical polarization along the c axis and a previously known tripling of the primitive cell volume at low temperatures.

Original languageEnglish (US)
Article number134308
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume92
Issue number13
DOIs
StatePublished - Oct 29 2015

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Lattice vibrations
Optical properties
Phase transitions
Single crystals
optical properties
single crystals
ellipsometry
Ellipsometry
Infrared radiation
Raman scattering
Raman spectra
Temperature
Optical lattices
room temperature
neutron diffraction
vibration mode
analyzers
Neutron diffraction
Phonons
phonons

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Stanislavchuk, T. N. ; Litvinchuk, A. P. ; Hu, Rongwei ; Jeon, Young Hun ; Ji, Sung Dae ; Cheong, Sang-Wook ; Sirenko, A. A. / Optical properties, lattice dynamics, and structural phase transition in hexagonal 2H-BaMn O3 single crystals. In: Physical Review B - Condensed Matter and Materials Physics. 2015 ; Vol. 92, No. 13.
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Optical properties, lattice dynamics, and structural phase transition in hexagonal 2H-BaMn O3 single crystals. / Stanislavchuk, T. N.; Litvinchuk, A. P.; Hu, Rongwei; Jeon, Young Hun; Ji, Sung Dae; Cheong, Sang-Wook; Sirenko, A. A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 92, No. 13, 134308, 29.10.2015.

Research output: Contribution to journalArticle

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AU - Ji, Sung Dae

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