تقرير
Ambient and high pressure phases of tin sulfide compounds
| العنوان: | Ambient and high pressure phases of tin sulfide compounds |
|---|---|
| المؤلفون: | Gonzalez, Joseph M., Nguyen-Cong, Kien, Steele, Brad A., Oleynik, Ivan I. |
| سنة النشر: | 2017 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science |
| الوصف: | Tin sulfides SnxSy are important class of materials that are actively investigated as novel photovoltaic and water splitting materials. First-principles evolutionary crystal structure search is performed with the goal of constructing the complete phase diagram of SnxSy and discover new phases as well as new compounds of varying stoichiometry at ambient conditions and pressures up to 100 GPa. The ambient phase of SnS2 with P3m1 symmetry remains stable up to 30 GPa. Another ambient phase, SnS experiences a series of phase transformations: including \alpha-SnS to \beta-SnS at 9 GPa, followed by \beta-SnS to \gamma-SnS at 40 GPa. \gamma-SnS is a new high-pressure metallic phase with Pm3m space group symmetry stable up to 100 GPa, which becomes a superconductor with a maximum Tc= 9.6 K at 40 GPa. Another new metallic compound, Sn3S4 with I43d space group symmetry, is predicted to be stable at pressures above 15 GPa, which also becomes a superconductor with a maximum Tc=21.8 K at 30 GPa. |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/1710.03642 |
| رقم الأكسشن: | edsarx.1710.03642 |
| قاعدة البيانات: | arXiv |
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