Structural Stability of γ-Boron under High Pressure up to 126 GPa with Fine Pressure Increments
<p>Structure of γ-B<sub>28</sub> from different directions of (<b>a</b>) <span class="html-italic">a</span> axis, (<b>b</b>) <span class="html-italic">b</span> axis and (<b>c</b>) <span class="html-italic">c</span> axis, respectively. The boron atoms in B<sub>12</sub> icosahedra are marked in green while those in B<sub>2</sub> dumbells are marked in orange.</p> "> Figure 2
<p>(<b>a</b>) The scheme of the diamond anvil cell (DAC). (<b>b</b>,<b>c</b>) Raman spectra of γ-B<sub>28</sub> compressed in a neon pressure-transmitting medium in a diamond anvil cell. Raman spectra at different pressures are displayed in different colors.</p> "> Figure 3
<p>Variation in the positions of Raman peaks of γ-B<sub>28</sub> as a function of pressure. Different Raman modes are displayed in different colors.</p> "> Figure 4
<p>Pressure dependence of the Ag Raman mode; the results of this work and Zarechnaya et al. [<a href="#B34-symmetry-15-01308" class="html-bibr">34</a>] are represented by scatters of different colors and shapes.</p> "> Figure 5
<p>(<b>a</b>) The evolution process during compression. (<b>b</b>) is the gray area in (<b>a</b>), red solid lines are our experimental data, black dash dot lines represent the fitting curves, and the individual peaks are marked by green (B<sub>3g</sub>), yellow (B<sub>3g</sub>) and blue (B<sub>1g</sub>) respectively. (<b>c</b>) The positions of these three modes (B<sub>3g</sub>, B<sub>3g</sub>, and B<sub>1g</sub>) as a function of pressure up to 30 GPa.</p> "> Figure 6
<p>The process of (<b>a</b>) merging first and (<b>b</b>,<b>c</b>) then separating of B<sub>3g</sub> and B<sub>1g</sub> modes with pressure from 30 GPa to 126 GPa. In (<b>a</b>) and (<b>b</b>), red solid lines are our experimental data, black dash dot lines represent the fitting curves, and the individual peaks are marked by green (B<sub>3g</sub>), and blue (B<sub>1g</sub>) respectively.</p> "> Figure 7
<p>The relationship between the displacements of these two modes (B<sub>3g</sub> and B<sub>1g</sub>) with pressure from 30 GPa to 126 GPa. The green, pink, and blue areas are the pressure ranges where the two peaks begin to merge, have been merged, and, finally, begin to separate, respectively [<a href="#B34-symmetry-15-01308" class="html-bibr">34</a>].</p> "> Figure 8
<p>(<b>a</b>) Raman spectra taken at pressures and (<b>b</b>) positions as a function of pressure of B<sup>P</sup> and A<sub>g</sub> modes from 58.5 GPa to 91 GPa. Red solid lines are our experimental data, black dash dot lines represent the fitting curves, and the individual peaks are marked by green (B<sup>P</sup>) and blue (A<sub>g</sub>) respectively.</p> "> Figure 9
<p>The tilts of the B<sub>12</sub> icosahedron around the <span class="html-italic">c</span>-axis (<b>a</b>) and <span class="html-italic">a</span>-axis (<b>c</b>), which respond to the B<sub>1g</sub> and B<sub>3g</sub> mode, respectively. (<b>b</b>) displays the four-atom system. The boron atoms in B<sub>12</sub> icosahedra are marked in green while those in B<sub>2</sub> dumbells are marked in orange.</p> "> Figure 10
<p>(<b>a</b>) the bond length <span class="html-italic">R</span> and <span class="html-italic">r</span>, bond angle <span class="html-italic">ϕ</span>, and (<b>b</b>) force constants varies as functions of pressure. (<b>c</b>) Comparison of the calculated Raman mode and the experimental Ag mode.</p> "> Figure 11
<p>The unit-cell parameters and relative volume of γ-boron as a function of pressure.</p> ">
Abstract
:1. Introduction
2. Experimental Details
3. First Principle Calculations
4. Results and Discussion
5. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Zhong, C.; Mai, D.; Li, X.; Wang, J.; Dai, R.; Wang, Z.; Sun, X.; Zhang, Z. Structural Stability of γ-Boron under High Pressure up to 126 GPa with Fine Pressure Increments. Symmetry 2023, 15, 1308. https://doi.org/10.3390/sym15071308
Zhong C, Mai D, Li X, Wang J, Dai R, Wang Z, Sun X, Zhang Z. Structural Stability of γ-Boron under High Pressure up to 126 GPa with Fine Pressure Increments. Symmetry. 2023; 15(7):1308. https://doi.org/10.3390/sym15071308
Chicago/Turabian StyleZhong, Cheng, Di Mai, Xiangdong Li, Junke Wang, Rucheng Dai, Zhongping Wang, Xiaoyu Sun, and Zengming Zhang. 2023. "Structural Stability of γ-Boron under High Pressure up to 126 GPa with Fine Pressure Increments" Symmetry 15, no. 7: 1308. https://doi.org/10.3390/sym15071308