Raman studies in tetragonal structure PbTeO3

• Published in: Solid state communications Vol. 260; pp. 1 - 5
• Main Authors: Ma, Yan, Wang, Wendan, Liu, Qijun, Zhang, Linji, Lei, Li, Zhang, Leilei, Liu, Zhengtang
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.07.2017
• Subjects: DFT; High pressure; PbTeO3; Raman spectra; Raman spectra; DFT; PbTeO3; High pressure
• ISSN: 0038-1098
• DOI: 10.1016/j.ssc.2017.05.009

Raman spectra of tetragonal phase PbTeO3 have been acquired from single-crystal sample synthesized by hydrothermal method. Theory calculations have been carried out to analyze the Raman spectra. Raman bands between 600cm−1 and 800cm−1 are attributed to the internal modes of Te-O bonds in TeO3 pyramid, while Raman bands between 136cm−1 and 400cm−1 are assigned to the external modes of TeO3 pyramid. The vibration corresponding to Raman frequencies below 119cm−1 are consisted of Pb lattice modes and external modes of TeO3. The effects of pressure on the Raman spectrum of PbTeO3 have been investigated up to 23GPa. A splitting of 119cm−1 peak was observed at 13.4GPa, which may caused by the rotation of TeO3 pyramid instead of the phase transition. •Raman spectrum and the corresponding vibrational modes of tetragonal PbTeO3 have been investigated.•An obviously splitting of 119cm−1 Raman peak was observed at 13.4GPa when PbTeO3 has been squeezed to 23GPa.•The softening of vibrational modes was observed when pressure up to 20GPa.