Structural Phase Transition in Crystalline HgSe: Low-Temperature and High-Pressure Raman Spectroscopic Investigation | Sciact - CRIS-system of Boreskov Institute of Catalysis

Structural Phase Transition in Crystalline HgSe: Low-Temperature and High-Pressure Raman Spectroscopic Investigation Full article

Journal

Journal of Physics and Chemistry of Solids
ISSN: 0022-3697

Output data

Year: 2025, Volume: 207, Article number : 112977, Pages count : 11 DOI: 10.1016/j.jpcs.2025.112977

Tags

Phonon dynamics; Vibrational eigenmodes; Pressure-induced phase transition; Anharmonic lattice potential

Authors

Kumar N. ^1,2 , Kesari Swayam ³ , Krylova S.N. ⁴ , Rao Rekha ^3,5 , Surovtsev N.V. ⁶ , Ishchenko D.V. ¹ , Pryanichnikov S.V. ⁷ , Govorkova T.E. ⁸ , Bobin S.B. ⁸ , Lonchakov A.T. ⁸ , Golyashov V.A. ^1,9,10 , Tereshchenko O.E. ^1,9,10

Affiliations

1	Rzhanov Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russia
2	Tomsk State University, 36 Lenin Ave., Tomsk, 634050, Russia
3	Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai, 400085, India
4	Kirensky Institute of Physics SB RAS, Krasnoyarsk, 660036, Russia
5	Homi Bhabha National Institute, Anushaktinagar, Mumbai, 400094, India
6	Institute of Automation and Electrometry, SB, RAS, Novosibirsk, 630090, Russia
7	Institute of Metallurgy Urals Division of Russian Academy of Sciences, Ekaterinburg, 620016, Russia
8	M.N. Mikheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620108, Yekaterinburg, Russia
9	Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis, Koltsovo, Russia
10	Department of Physics, Saint Petersburg State University, St. Petersburg, Russia

Funding (4)

1	Government of the Russian Federation	ДЧ-П8-45981 (125022702939-2)
2	Ministry of Science and Higher Education of the Russian Federation	FWUR-2024-0040
3	Russian Science Foundation	23-12-00016 (123060600015-0)
4	Ministry of Science and Higher Education of the Russian Federation

At ambient pressure and temperature, Raman spectroscopy showed A1, E and T2 modes in HgSe which suggested coexistence of zinc blende (zb) and cinnabar (cin) phase. A blue shift of A1 and E Raman modes was observed with increasing temperature, which was explained by the reduction of lattice constant. Experimental results of Raman spectroscopy were consistent with the DFT calculation, both predicted transition to cin phase at moderate pressure of 1.5–1.8 GPa, and a complete absence of the Raman modes was observed above pressure of 16 GPa, confirming the transformation to the NaCl structure. The pressure-dependent frequency shift, linewidth and Raman intensity was explained by eigenvectors of vibrational symmetry of the modes, anharmonic effect and changes in polarizability.

Kumar N. , Kesari S. , Krylova S.N. , Rao R. , Surovtsev N.V. , Ishchenko D.V. , Pryanichnikov S.V. , Govorkova T.E. , Bobin S.B. , Lonchakov A.T. , Golyashov V.A. , Tereshchenko O.E.
Structural Phase Transition in Crystalline HgSe: Low-Temperature and High-Pressure Raman Spectroscopic Investigation
Journal of Physics and Chemistry of Solids. 2025. V.207. 112977 :1-11. DOI: 10.1016/j.jpcs.2025.112977 Scopus OpenAlex publication_identifier_short.sciact_skif_identifier_type

Submitted:	May 10, 2025
Accepted:	Jun 23, 2025
Published online:	Jul 24, 2025
Published print:	Dec 1, 2025

Scopus:	2-s2.0-105009247073
OpenAlex:	W4411613936
publication_identifier.sciact_skif_identifier_type:	3956

Пока нет цитирований