Lattice dynamics and phase transition in CrI3 single crystals

Djurdjić-Mijin, S.; Šolajić, A.; Pešić, J.; Šćepanović, M.; Liu, Y.; Baum, A.; Petrovic, Cedomir; Lazarević, N.; Popović, Z. V.

doi:10.1103/PhysRevB.98.104307

Title: Lattice dynamics and phase transition in ${CrI}_{3}$ single crystals

Abstract

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.

Authors:

Djurdjić-Mijin, S. ^[1]; Šolajić, A. ^[1]; Pešić, J. ^[1]; Šćepanović, M. ^[1]; Liu, Y. ^[2]; Baum, A. ^[3];

^[2]; Lazarević, N. ^[1]; Popović, Z. V. ^[4]

Univ. of Belgrade, Belgrade (Serbia)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Walther Meissner Institut, Garching (Germany); Technische Univ. Munchen, Garching (Germany)
Univ. of Belgrade, Belgrade (Serbia); Serbian Academy of Sciences and Arts, Belgrade (Serbia)

Publication Date:: 2018-09-18

Research Org.:: Brookhaven National Lab. (BNL), Upton, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1477483

Report Number(s):: BNL-209162-2018-JAAM
Journal ID: ISSN 2469-9950; PRBMDO

Grant/Contract Number:: SC0012704

Resource 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)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    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., 2018. 
Web.  doi:10.1103/PhysRevB.98.104307.

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                    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.  https://doi.org/10.1103/PhysRevB.98.104307

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                    Djurdjić-Mijin, S., Šolajić, A., Pešić, J., Šćepanović, M., Liu, Y., Baum, A., Petrovic, Cedomir, Lazarević, N., and Popović, Z. V. Tue .  
"Lattice dynamics and phase transition in CrI3 single crystals".  United States.  https://doi.org/10.1103/PhysRevB.98.104307.  https://www.osti.gov/servlets/purl/1477483.

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@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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Works referencing / citing this record:

Switching 2D magnetic states via pressure tuning of layer stacking
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Song, Tiancheng; Fei, Zaiyao; Yankowitz, Matthew
Nature Materials, Vol. 18, Issue 12
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Title: Lattice dynamics and phase transition in CrI 3 single crystals

Abstract

Citation Formats

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Title: Lattice dynamics and phase transition in ${CrI}_{3}$ single crystals

Generalized Gradient Approximation Made Simple
journal, October 1996

Controlling magnetism in 2D CrI3 by electrostatic doping
journal, May 2018

Magnetization, Resonance, and Optical Properties of the Ferromagnet CrI ₃
journal, March 1965

Raman spectrum of ${CrI}_{3}$ : An $ab initio$ study
journal, August 2018

Sustained phase separation and spin glass in Co-doped $K_{x} {Fe}_{2 - y} {Se}_{2}$ single crystals
journal, November 2015

Magnetic behavior and spin-lattice coupling in cleavable van der Waals layered ${CrCl}_{3}$ crystals
journal, June 2017

Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
journal, June 2017

Evidence of coupling between phonons and charge-density waves in ErTe $_{3}$
journal, January 2011

Projector augmented-wave method
journal, December 1994

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

The 80 Diperiodic Groups in Three Dimensions
journal, January 1964

Three-dimensional magnetic critical behavior in ${CrI}_{3}$
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Insulating and metallic spin glass in Ni-doped $K_{x} {Fe}_{2 - y} {Se}_{2}$ single crystals
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Vacancy-induced nanoscale phase separation in K $_{x}$ Fe $_{2 - y}$ Se $_{2}$ single crystals evidenced by Raman scattering and powder x-ray diffraction
journal, August 2012

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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journal, June 2017

From ultrasoft pseudopotentials to the projector augmented-wave method
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Robust intrinsic ferromagnetism and half semiconductivity in stable two-dimensional single-layer chromium trihalides
journal, January 2015

Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI ₃
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journal, March 1971

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