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Vibrational dynamics and stability of the high-pressure chain and ring phases in S and Se
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10.1063/1.2433944
/content/aip/journal/jcp/126/8/10.1063/1.2433944
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/8/10.1063/1.2433944

Figures

Image of FIG. 1.
FIG. 1.

(Color online) (Upper) Reaction and transformation diagram of sulfur obtained from x-ray data (modified from Ref. 3). The boundaries for the transitions S-I to S-II and S-II to S-III observed in Ref. 3 are shown by dashed lines. Stability region of the S-VI phase is shown as reported in Ref. 4. Inset shows the phase diagram of sulfur obtained from Raman spectroscopic studies (modified from Ref. 16). (Lower) Phase diagram of selenium with symbols indicating observed phase transitions (Refs. 37–39) and dashed lines showing tentative phase boundaries.

Image of FIG. 2.
FIG. 2.

Raman spectrum of the S-VI phase obtained in present work at . The inset shows a Raman spectrum of the photosensitive sulfur p-S (S-II) at obtained by Orgzall and Lorenz (Ref. 14).

Image of FIG. 3.
FIG. 3.

(Color online) (a) Pressure dependence of the Raman modes for the S-II (p-S) phase with triangular chain structure. Thin solid lines show data from Ref. 16, thick solid lines - data from Ref. 13, and dashed lines - data from Ref. 12. The inset shows the pressure dependence of the Raman modes in Se-I, observed in the present work. (b) Pressure dependence of the Raman modes for the S-VI phase. Solid lines show data from Ref. 8, dashed lines - from Ref. 13, crosses and pluses - from Ref. 10 with pluses showing the admixture of the S-II phase, and circles and diamonds - from present work with diamond showing the admixture of the S-III phase. Solid and open symbols denote data obtained on pressure increase and pressure decrease, respectively.

Image of FIG. 4.
FIG. 4.

(Color online) Raman active modes of the S-II phase with a triangular spiral chain structure, calculated for pressure of . Only one of the doubly degenerate modes is shown in each case.

Image of FIG. 5.
FIG. 5.

(Color online) Pressure dependence of lattice parameters and axial ratio for the S-VI structure, determined in the present work. Solid and open symbols show the data collected on pressure increase and pressure decrease, respectively. The open star symbol shows the data from Ref. 4. Filled star symbol shows the data for the ambient-pressure metastable polymorph of sulfur from Ref. 40. The atomic volume of S-VI is shown in comparison with the volumes of the S-I, II, and III phases taken from our earlier work (Refs. 3 and 25).

Image of FIG. 6.
FIG. 6.

(Color online) Raman active modes of the S-VI phase with the molecules, calculated for a pressure of .

Image of FIG. 7.
FIG. 7.

Raman spectra of (a) S-III at , (b) Se-VII at , and (c) Se-VII at with a minor admixture of Se-IV (marked by asterisks).

Image of FIG. 8.
FIG. 8.

(Color online) (a) Pressure dependence of the Raman frequencies for S-III: symbols-present work; lines-data from Refs. 8, 9, and 12. (b) Pressure dependence of the Raman frequencies for three Se phases from the present work: Se-I-triangles, Se-VII-diamonds, and Se-IV- squares. Lines are guides to the eye. Solid and open symbols denote data obtained on pressure increase and pressure decrease, respectively.

Image of FIG. 9.
FIG. 9.

(Color online) Raman active modes of the S-III phase with the square spiral chain structure, calculated for a pressure of . The mode is not shown.

Tables

Generic image for table
Table I.

Structural data on some high-pressure phases of sulfur and selenium.

Generic image for table
Table II.

Observed and calculated Raman frequencies and mode assignment for the S-II (p-S) phase of sulfur. s-stretching: b-bending. All experimental data refer to room temperature.

Generic image for table
Table III.

Observed and calculated Raman frequencies and mode assignment for the phase of sulfur. All experimental data refer to room temperature. s-stretching, b-bending, lib-libration (hindered rotation), and AP-ambient pressure.

Generic image for table
Table IV.

Observed and calculated Raman frequencies and mode assignment for the square chain structure of S-III and Se-VII from present work. All experimental data refer to room temperature. s-stretching: b-bending.

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/content/aip/journal/jcp/126/8/10.1063/1.2433944
2007-02-22
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Vibrational dynamics and stability of the high-pressure chain and ring phases in S and Se
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/8/10.1063/1.2433944
10.1063/1.2433944
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