Volume 40 Issue 10
Oct 2026
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LIU Peiyuan, ZHAO Bohao, WANG Lijuan, LIN Chuanlong, YANG Liuxiang, GOU Huiyang. Lattice Dynamics of Mercury under High Pressure[J]. Chinese Journal of High Pressure Physics, 2026, 40(10): 101101. doi: 10.11858/gywlxb.20261011
Citation: LIU Peiyuan, ZHAO Bohao, WANG Lijuan, LIN Chuanlong, YANG Liuxiang, GOU Huiyang. Lattice Dynamics of Mercury under High Pressure[J]. Chinese Journal of High Pressure Physics, 2026, 40(10): 101101. doi: 10.11858/gywlxb.20261011

Lattice Dynamics of Mercury under High Pressure

doi: 10.11858/gywlxb.20261011
  • Received Date: 15 Jan 2026
  • Rev Recd Date: 12 Mar 2026
  • Available Online: 15 Mar 2026
  • Issue Publish Date: 22 Oct 2026
  • Mercury is a metal with special physical and chemical properties. High pressure can significantly alter its crystal structures and interatomic interactions. However, vibration-related experimental data of mercury under high pressure have been scarce for a long time, which limits the in-depth understanding of its high-pressure phase transition mechanisms. To fill this research gap, this study systematically investigate the structural transformations and evolution of vibrational mode of mercury under high pressure. This was achieved by integrating low-wavenumber high-pressure confocal Raman spectroscopy, in-situ diamond anvil cell (DAC) techniques, and first-principles calculations. The study successfully detected the vibrational signals of two solid phases of mercury under high pressure for the first time, revealed the characteristics of pressure-dependent vibrational frequencies, and further calculated the relevant thermodynamic parameters of the two phases. The experimental data is highly consistent with the reported structural phase transitions of mercury, filling the long-standing experimental gap in this field and providing key experimental support for an in-depth understanding of the phase transition behaviors and related mechanisms of mercury under high pressure.

     

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  • [1]
    PYYKKÖ P. Relativistic effects in structural chemistry [J]. Chemical Reviews, 1988, 88(3): 563–594. doi: 10.1021/cr00085a006
    [2]
    NORRBY L J. Why is mercury liquid? Or, why do relativistic effects not get into chemistry textbooks? [J]. Journal of Chemical Education, 1991, 68(2): 110. doi: 10.1021/ed068p110
    [3]
    SINGH P P. Relativistic effects in mercury: atom, clusters, and bulk [J]. Physical Review B, 1994, 49(7): 4954–4958. doi: 10.1103/PhysRevB.49.4954
    [4]
    GASTON N, SCHWERDTFEGER P. From the van der Waals dimer to the solid state of mercury with relativistic ab initio and density functional theory [J]. Physical Review B, 2006, 74(2): 024105. doi: 10.1103/PhysRevB.74.024105
    [5]
    GASTON N, PAULUS B, ROSCISZEWSKI K, et al. Lattice structure of mercury: influence of electronic correlation [J]. Physical Review B, 2006, 74(9): 094102. doi: 10.1103/PhysRevB.74.094102
    [6]
    CALVO F, PAHL E, WORMIT M, et al. Evidence for low-temperature melting of mercury owing to relativity [J]. Angewandte Chemie International Edition, 2013, 52(29): 7583–7585. doi: 10.1002/anie.201302742
    [7]
    KLEMENT W, JAYARAMAN A, KENNEDY G C. Transformations in mercury at high pressures [J]. Physical Review, 1963, 131(1): 1–6. doi: 10.1103/PhysRev.131.1
    [8]
    SCHULTE O, HOLZAPFEL W B. Phase diagram for mercury up to 67 GPa and 500 K [J]. Physical Review B, 1993, 48(18): 14009–14012. doi: 10.1103/PhysRevB.48.14009
    [9]
    BARRETT C S. The structure of mercury at low temperatures [J]. Acta Crystallographica, 1957, 10: 58–60. doi: 10.1107/S0365110X57000134
    [10]
    SCHULTE O, HOLZAPFEL W B. A new structure of mercury under pressure [J]. Physics Letters A, 1988, 131(1): 38–40. doi: 10.1016/0375-9601(88)90630-5
    [11]
    TAKEMURA K, FUJIHISA H, NAKAMOTO Y, et al. Crystal structure of the high-pressure γ phase of mercury: a novel monoclinic distortion of the close-packed structure [J]. Journal of the Physical Society of Japan, 2007, 76(2): 023601. doi: 10.1143/JPSJ.76.023601
    [12]
    TAKEMURA K, NAKANO S, OHISHI Y, et al. High-pressure structural study of solid mercury up to 200 GPa [J]. Materials Research Express, 2014, 2(1): 016502. doi: 10.1088/2053-1591/2/1/016502
    [13]
    KITAMURA H. Equation of state for expanded fluid mercury: variational theory with many-body interaction [J]. The Journal of Chemical Physics, 2007, 126(13): 134509. doi: 10.1063/1.2712443
    [14]
    MOZAFFARI F, ESLAMI H. Equation of state for mercury: revisited [J]. Physics and Chemistry of Liquids, 2013, 51(4): 517–523. doi: 10.1080/00319104.2012.747199
    [15]
    AYRINHAC S, GAUTHIER M, BOVE L E, et al. Equation of state of liquid mercury to 520 K and 7 GPa from acoustic velocity measurements [J]. The Journal of Chemical Physics, 2014, 140(24): 244201. doi: 10.1063/1.4882695
    [16]
    BOTANA J, WANG X L, HOU C J, et al. Mercury under pressure acts as a transition metal: calculated from first principles [J]. Angewandte Chemie International Edition, 2015, 54(32): 9280–9283. doi: 10.1002/anie.201503870
    [17]
    TRESCA A, PROFETA G, MARINI G, et al. Why mercury is a superconductor [J]. Physical Review B, 2022, 106(18): L180501. doi: 10.1103/PhysRevB.106.L180501
    [18]
    SCHULTE O, HOLZAPFEL W B. Effect of pressure on the atomic volume of Zn, Cd, and Hg up to 75 GPa [J]. Physical Review B, 1996, 53(2): 569–580. doi: 10.1103/PhysRevB.53.569
    [19]
    刘静仪, 陶雨, 范春梅, 等. Hcp金属的高压拉曼散射光谱研究 [J]. 高压物理学报, 2022, 36(5): 051102. doi: 10.11858/gywlxb.20220522

    LIU J Y, TAO Y, FAN C M, et al. High-pressure Raman spectroscopy of hcp metals [J]. Chinese Journal of High Pressure Physics, 2022, 36(5): 051102. doi: 10.11858/gywlxb.20220522
    [20]
    GONCHAROV A F. Raman spectroscopy at high pressures [J]. International Journal of Spectroscopy, 2012, 2012: 617528. doi: 10.1155/2012/617528
    [21]
    OLIJNYK H, JEPHCOAT A P, NOVIKOV D L, et al. Pressure shift of the zone-center TO mode of Zn [J]. Physical Review B, 2000, 62(9): 5508–5512. doi: 10.1103/PhysRevB.62.5508
    [22]
    PONOSOV Y S, LOA I, MOGILENSKIKH V E, et al. Raman scattering in osmium under pressure [J]. Physical Review B, 2005, 71(22): 220301. doi: 10.1103/PhysRevB.71.220301
    [23]
    SERRANO J, MANJÓN F J, ROMERO A H, et al. High-pressure Raman spectroscopy study of wurtzite ZnO [J]. Physical Review B, 2002, 65(9): 092101. doi: 10.1103/PhysRevB.65.092101
    [24]
    OLIJNYK H, JEPHCOAT A P. High-pressure vibrational studies of hcp metals by Raman spectroscopy [J]. High Pressure Research, 2002, 22(1): 43–45. doi: 10.1080/08957950211365
    [25]
    CUSCÓ R, ALARCÓN-LLADÓ E, IBÁÑEZ J, et al. Temperature dependence of Raman scattering in ZnO [J]. Physical Review B, 2007, 75(16): 165202. doi: 10.1103/PhysRevB.75.165202
    [26]
    OLIJNYK H, NAKANO S, JEPHCOAT A P, et al. Lattice-dynamical studies of Ti in the hcp- and ω-phase by Raman scattering at high-pressure [J]. Physical Review B, 2006, 74(10): 104302. doi: 10.1103/PhysRevB.74.104302
    [27]
    KROUMOVA E, AROYO M I, PEREZ-MATO J M, et al. Bilbao crystallographic server: useful databases and tools for phase-transition studies [J]. Phase Transitions, 2003, 76(1/2): 155–170. doi: 10.1080/0141159031000076110
    [28]
    OLIJNYK H, NAKANO S, JEPHCOAT A P, et al. Unusual pressure response of the E2g mode and elastic shear modulus C44 in hcp scandium [J]. Journal of Physics: Condensed Matter, 2006, 18(48): 10971–10976. doi: 10.1088/0953-8984/18/48/024
    [29]
    OLIJNYK H. Unusual broadening and splitting of the K≈0 transverse-optical phonon in hcp Mg at high pressure [J]. Journal of Physics: Condensed Matter, 1999, 11(34): 6589–6594. doi: 10.1088/0953-8984/11/34/311
    [30]
    戚磊, 雷力, 冯雷豪, 等. 铼的弹性剪切参数C44对温度与压力响应的原位拉曼光谱研究 [J]. 光谱学与光谱分析, 2018, 38(12): 3764–3768. doi: 10.3964/j.issn.1000-0593(2018)12-3764-05

    QI L, LEI L, FENG L H, et al. Response of elastic shear parameter C44 of rhenium to temperature and pressure: a Raman spectroscopy study [J]. Spectroscopy and Spectral Analysis, 2018, 38(12): 3764–3768. doi: 10.3964/j.issn.1000-0593(2018)12-3764-05
    [31]
    OLIJNYK H, JEPHCOAT A P. Effect of pressure on Raman phonons in zirconium metal [J]. Physical Review B, 1997, 56(17): 10751–10753. doi: 10.1103/PhysRevB.56.10751
    [32]
    NOVOSELOV D, ANISIMOV V I, PONOSOV Y S. Phonon mode softening and elastic properties of hafnium under pressure [J]. Physical Review B, 2018, 97(18): 184108. doi: 10.1103/PhysRevB.97.184108
    [33]
    OLIJNYK H, JEPHCOAT A P, REFSON K. On optical phonons and elasticity in the hcp transition metals Fe, Ru and Re at high pressure [J]. Europhysics Letters, 2001, 53(4): 504–510. doi: 10.1209/epl/i2001-00181-4
    [34]
    OLIJNYK H, GROSSHANS W A, JEPHCOAT A P. Lattice vibrations and electronic transitions in the rare-earth metals: praseodymium under pressure [J]. Physical Review Letters, 2004, 93(25): 255505. doi: 10.1103/PhysRevLett.93.255505
    [35]
    LIU J Y, TAO Y, FAN C M, et al. High-pressure Raman study of osmium and rhenium up to 200 GPa and pressure dependent elastic shear modulus C44 [J]. Chinese Physics B, 2022, 31(3): 037801. doi: 10.1088/1674-1056/ac1eff
    [36]
    OLIJNYK H. High pressure Raman spectra of Gd, Lu and Y [J]. High Pressure Research, 1994, 13(1/2/3): 99–102. doi: 10.1080/08957959408200268
    [37]
    GONCHAROV A F, CROWHURST J, ZAUG J M. Elastic and vibrational properties of cobalt to 120 GPa [J]. Physical Review Letters, 2004, 92(11): 115502. doi: 10.1103/PhysRevLett.92.115502
    [38]
    DUBROVINSKAIA N, DUBROVINSKY L, CARACAS R, et al. Diamond as a high pressure gauge up to 2.7 Mbar [J]. Applied Physics Letters, 2010, 97(25): 251903. doi: 10.1063/1.3529454
    [39]
    WOJDYR M. Fityk: a general-purpose peak fitting program [J]. Journal of Applied Crystallography, 2010, 43(5): 1126–1128. doi: 10.1107/S0021889810030499
    [40]
    KRESSE G, FURTHMÜLLER J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J]. Computational Materials Science, 1996, 6(1): 15–50. doi: 10.1016/0927-0256(96)00008-0
    [41]
    KRESSE G, FURTHMÜLLER J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J]. Physical Review B, 1996, 54(16): 11169–11186. doi: 10.1103/PhysRevB.54.11169
    [42]
    KRESSE G, JOUBERT D. From ultrasoft pseudopotentials to the projector augmented-wave method [J]. Physical Review B, 1999, 59(3): 1758–1775. doi: 10.1103/PhysRevB.59.1758
    [43]
    BLÖCHL P E. Projector augmented-wave method [J]. Physical Review B, 1994, 50(24): 17953–17979. doi: 10.1103/PhysRevB.50.17953
    [44]
    PERDEW J P, RUZSINSZKY A, CSONKA G I, et al. Restoring the density-gradient expansion for exchange in solids and surfaces [J]. Physical Review Letters, 2008, 100(13): 136406. doi: 10.1103/PhysRevLett.100.136406
    [45]
    TOGO A. First-principles phonon calculations with phonopy and phono3py [J]. Journal of the Physical Society of Japan, 2023, 92(1): 012001. doi: 10.7566/JPSJ.92.012001
    [46]
    STACEY F D, HODGKINSON J H. Thermodynamics with the Grüneisen parameter: fundamentals and applications to high pressure physics and geophysics [J]. Physics of the Earth and Planetary Interiors, 2019, 286: 42–68. doi: 10.1016/j.pepi.2018.10.006
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