Semiconductor-to-metal transition in HfSe2 under high pressure
| العنوان: | Semiconductor-to-metal transition in HfSe2 under high pressure |
|---|---|
| المؤلفون: | Ran Liu, Hui Tian, Peng Wang, Juanying Li, Qing Dong, Xueting Zhang, Bingbing Liu, Bo Liu, Shuang Liu, Shujia Li, Quanjun Li |
| المصدر: | Journal of Alloys and Compounds. 867:158923 |
| بيانات النشر: | Elsevier BV, 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Phase transition, Materials science, Condensed matter physics, Infrared, business.industry, Mechanical Engineering, Metals and Alloys, Hexagonal phase, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Hafnium, chemistry.chemical_compound, Semiconductor, Atomic orbital, chemistry, Mechanics of Materials, Phase (matter), Selenide, Materials Chemistry, 0210 nano-technology, business |
| الوصف: | In this study, we report the phase transitions and semiconductor-to-metal (S-M) transition of hafnium selenide (HfSe2) under high pressure through experiments and theoretical calculations. The starting hexagonal structure transforms to an intermediate phase and I4/mmm structure above 10 GPa, and then converts into the I4/mmm structure completely above 47.2 GPa. Pressure-induced S-M transition at ~10 GPa was revealed by infrared (IR) reflectivity and resistance measurements. Theoretical calculations indicate that the pressure-induced metallization occurs in the initial hexagonal phase, which arises from the overlap of the valance and conduction bands with the contribution of the Hf d and Se p orbitals under high pressure. Upon pressure releases, the I4/mmm phase transforms into the initial hexagonal structure. This work provides new insights into the structures and electronic states of HfSe2. |
| تدمد: | 0925-8388 |
| DOI: | 10.1016/j.jallcom.2021.158923 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::697a614367f5fc133fe3d870c7c53ebd https://doi.org/10.1016/j.jallcom.2021.158923 |
| Rights: | CLOSED |
| رقم الانضمام: | edsair.doi...........697a614367f5fc133fe3d870c7c53ebd |
| قاعدة البيانات: | OpenAIRE |
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