@article{12cac46075964456ad1bbedada252069,
title = "Optical signatures of phase transitions and structural modulation in elemental tellurium under pressure",
abstract = "A room-temperature infrared spectroscopy study of elemental tellurium at pressures up to 8.44 GPa in the energy range 0.015-2 eV is reported. Optical signatures of the high-pressure polymorphs are investigated and compared to the results of density-functional band-structure calculations. A Drude peak is first seen in the optical conductivity around 3.5 GPa indicating a semiconductor-to-metal transition within trigonal Te-I. A sharp increase in the Drude spectral weight and dc conductivity around 4.3 GPa signals the transformation toward the triclinic Te-II polymorph. An absorption peak around 0.15 eV appears above 5 GPa concomitant with the gradual transformation of Te-II into the structurally similar but incommensurately modulated Te-III. Microscopically, this peak can only be reproduced within a sufficiently large commensurate approximant, suggesting the low-energy optical response as a fingerprint of the structural modulation.",
author = "Diego Rodriguez and Tsirlin, {Alexander A.} and Tobias Biesner and Teppei Ueno and Takeshi Takahashi and Kaya Kobayashi and Martin Dressel and Ece Uykur",
note = "Funding Information: Authors acknowledge the fruitful discussions with Artem V. Pronin and Sascha Polatkan, technical support from Gabriele Untereiner. We are grateful to Malcolm McMahon for sharing his x-ray data for our calculations. Work in Okayama is supported by the Grant-in-Aid for Scientific Research (Grants No. 18K03540 and No. 19H01852). E.U acknowledges the European Social Fund and the Baden W?rttemberg Stiftung for the financial support of this research project by the Eliteprogramme. Funding Information: Authors acknowledge the fruitful discussions with Artem V. Pronin and Sascha Polatkan, technical support from Gabriele Untereiner. We are grateful to Malcolm McMahon for sharing his x-ray data for our calculations. Work in Okayama is supported by the Grant-in-Aid for Scientific Research (Grants No. 18K03540 and No. 19H01852). E.U acknowledges the European Social Fund and the Baden W{\"u}rttemberg Stiftung for the financial support of this research project by the Eliteprogramme. Publisher Copyright: {\textcopyright} 2020 American Physical Society.",
year = "2020",
month = may,
day = "1",
doi = "10.1103/PhysRevB.101.174104",
language = "English",
volume = "101",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "17",
}