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Title: Lattice dynamics and phase transition in CrI 3 single crystals

Here, the vibrational properties of CrI 3 single crystals were investigated using Raman spectroscopy and were analyzed with respect to the changes of the crystal structure. All but one mode are observed for both the low-temperature R¯3 and the high-temperature C2/m phase. For all observed modes the energies and symmetries are in good agreement with DFT calculations. The symmetry of a single layer was identified as p¯31/m. In contrast to previous studies we observe the transition from the R¯3 to the C2/m phase at 180 K and find no evidence for coexistence of both phases over a wide temperature range.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [2] ;  [3] ; ORCiD logo [2] ;  [1] ;  [4]
  1. Univ. of Belgrade, Belgrade (Serbia)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Walther Meissner Institut, Garching (Germany); Technische Univ. Munchen, Garching (Germany)
  4. Univ. of Belgrade, Belgrade (Serbia); Serbian Academy of Sciences and Arts, Belgrade (Serbia)
Publication Date:
Report Number(s):
BNL-209162-2018-JAAM
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 10; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1477483

Djurdjić-Mijin, S., Šolajić, A., Pešić, J., Šćepanović, M., Liu, Y., Baum, A., Petrovic, Cedomir, Lazarević, N., and Popović, Z. V.. Lattice dynamics and phase transition in CrI3 single crystals. United States: N. p., Web. doi:10.1103/PhysRevB.98.104307.
Djurdjić-Mijin, S., Šolajić, A., Pešić, J., Šćepanović, M., Liu, Y., Baum, A., Petrovic, Cedomir, Lazarević, N., & Popović, Z. V.. Lattice dynamics and phase transition in CrI3 single crystals. United States. doi:10.1103/PhysRevB.98.104307.
Djurdjić-Mijin, S., Šolajić, A., Pešić, J., Šćepanović, M., Liu, Y., Baum, A., Petrovic, Cedomir, Lazarević, N., and Popović, Z. V.. 2018. "Lattice dynamics and phase transition in CrI3 single crystals". United States. doi:10.1103/PhysRevB.98.104307.
@article{osti_1477483,
title = {Lattice dynamics and phase transition in CrI3 single crystals},
author = {Djurdjić-Mijin, S. and Šolajić, A. and Pešić, J. and Šćepanović, M. and Liu, Y. and Baum, A. and Petrovic, Cedomir and Lazarević, N. and Popović, Z. V.},
abstractNote = {Here, the vibrational properties of CrI3 single crystals were investigated using Raman spectroscopy and were analyzed with respect to the changes of the crystal structure. All but one mode are observed for both the low-temperature R¯3 and the high-temperature C2/m phase. For all observed modes the energies and symmetries are in good agreement with DFT calculations. The symmetry of a single layer was identified as p¯31/m. In contrast to previous studies we observe the transition from the R¯3 to the C2/m phase at 180 K and find no evidence for coexistence of both phases over a wide temperature range.},
doi = {10.1103/PhysRevB.98.104307},
journal = {Physical Review B},
number = 10,
volume = 98,
place = {United States},
year = {2018},
month = {9}
}

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