Structural Phase Transition in Crystalline HgSe: Low-Temperature and High-Pressure Raman Spectroscopic Investigation | Sciact - CRIS-система Института катализа

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

Журнал

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

Вых. Данные

Год: 2025, Том: 207, Номер статьи : 112977, Страниц : 11 DOI: 10.1016/j.jpcs.2025.112977

Ключевые слова

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

Авторы

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

Организации

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

Информация о финансировании (4)

1	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FWUR-2024-0040
2	Правительство Российской Федерации	ДЧ-П8-45981 (125022702939-2)
3	Российский научный фонд	23-12-00016 (123060600015-0)
4	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)

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 WOS Scopus РИНЦ OpenAlex CAPlusCA СКИФ ID

Поступила в редакцию:	10 мая 2025 г.
Принята к публикации:	23 июн. 2025 г.
Опубликована online:	24 июл. 2025 г.
Опубликована в печати:	1 дек. 2025 г.

≡ Web of science:	WOS:001525260900001
≡ Scopus:	2-s2.0-105009247073
≡ РИНЦ:	83150567
≡ OpenAlex:	W4411613936
≡ Chemical Abstracts:	2025:1772077
≡ Chemical Abstracts (print):	191:565459
≡ СКИФ ID:	3956

≡ OpenAlex	2	Сбор данных от 22.02.2026
≡ Scopus	2	Сбор данных от 22.02.2026
≡ Web of science	2	Сбор данных от 20.02.2026
≡ РИНЦ	1	Сбор данных от 22.02.2026