• info@ictja.csic.es
  • +34 93 409 54 10

Cuenca-Gotor, V. P., et al. (2016), Structural, Vibrational, and Electronic Study of α-As2Te3 under Compression, The Journal of Physical Chemistry C, 120(34), 19340-19352, doi: 10.1021/acs.jpcc.6b06049.

Abstract

We report a study of the structural, vibrational, and electronic properties of layered monoclinic arsenic telluride (α-As2Te3) at high pressures. Powder X-ray diffraction and Raman scattering measurements up to 17 GPa have been complemented with ab initio total-energy, lattice dynamics, and electronic band structure calculations. Our measurements, which include previously unreported Raman scattering measurements for crystalline α-As2Te3, show that this compound undergoes a reversible phase transition above 14 GPa at room temperature. The monoclinic crystalline structure of α-As2Te3 and its behavior under compression are analyzed by means of the compressibility tensor. Major structural and vibrational changes are observed in the range between 2 and 4 GPa and can be ascribed to the strengthening of interlayer bonds. No evidence of any isostructural phase transition has been observed in α-As2Te3. A comparison with other group 15 sesquichalcogenides allows understanding the structure of α-As2Te3 and its behavior under compression based on the activity of the cation lone electron pair in these compounds. Finally, our electronic band structure calculations show that α-As2Te3 is a semiconductor at 1 atm, which undergoes a trivial semiconducting–metal transition above 4 GPa. The absence of a pressure-induced electronic topological transition in α-As2Te3 is discussed.

Reference article

We use cookies to improve our website and your experience when using it. Cookies used for the essential operation of this site have already been set. To find out more about the cookies we use and how to delete them, see our privacy policy.

  I accept cookies from this site.
EU Cookie Directive plugin by www.channeldigital.co.uk