دورية أكاديمية
Revealing an unusual transparent phase of superhard iron tetraboride under high pressure.
| العنوان: | Revealing an unusual transparent phase of superhard iron tetraboride under high pressure. |
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| المؤلفون: | Kotmool K; Center of Excellence in Forum for Theoretical Science, Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand;, Kaewmaraya T; Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, S-75120 Uppsala, Sweden;, Chakraborty S; Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, S-75120 Uppsala, Sweden;, Anversa J; Departamento de Física, Universidade Federal de Santa Maria, 97105-900 Santa Maria, Rio Grande do Sul, Brazil;, Bovornratanaraks T; Center of Excellence in Forum for Theoretical Science, Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand; Thailand Center of Excellence in Physics, Commission on Higher Education, Bangkok 10400, Thailand;, Luo W; Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, S-75120 Uppsala, Sweden;, Gou H; Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015;, Piquini PC; Departamento de Física, Universidade Federal de Santa Maria, 97105-900 Santa Maria, Rio Grande do Sul, Brazil;, Kang TW; Quantum Functional Semiconductor Research Center, Dongguk University, Chung gu, Seoul 100-715, Korea;, Mao HK; Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015; Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, People's Republic of China; and mao@gl.ciw.edu rajeev.ahuja@physics.uu.se., Ahuja R; Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, S-75120 Uppsala, Sweden; Quantum Functional Semiconductor Research Center, Dongguk University, Chung gu, Seoul 100-715, Korea; Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology, S-100 44 Stockholm, Sweden mao@gl.ciw.edu rajeev.ahuja@physics.uu.se. |
| المصدر: | Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2014 Dec 02; Vol. 111 (48), pp. 17050-3. Date of Electronic Publication: 2014 Nov 17. |
| نوع المنشور: | Journal Article; Research Support, Non-U.S. Gov't |
| اللغة: | English |
| بيانات الدورية: | Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1091-6490 (Electronic) Linking ISSN: 00278424 NLM ISO Abbreviation: Proc Natl Acad Sci U S A Subsets: PubMed not MEDLINE |
| أسماء مطبوعة: | Original Publication: Washington, DC : National Academy of Sciences |
| مستخلص: | First principles-based electronic structure calculations of superhard iron tetraboride (FeB4) under high pressure have been undertaken in this study. Starting with a "conventional" superconducting phase of this material under high pressure leads to an unexpected phase transition toward a semiconducting one. This transition occurred at 53.7 GPa, and this pressure acts as a demarcation between two distinct crystal symmetries, metallic orthorhombic and semiconducting tetragonal phases, with Pnnm and I4₁/acd space groups, respectively. In this work, the electron-phonon coupling-derived superconducting T(c) has been determined up to 60 GPa and along with optical band gap variation with increasing pressure up to 300 GPa. The dynamic stability has been confirmed by phonon dispersion calculations throughout this study. |
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| فهرسة مساهمة: | Keywords: first principle study; high pressure; metal–semiconductor phase transition; superconductivity; superhard material |
| تواريخ الأحداث: | Date Created: 20141119 Date Completed: 20150319 Latest Revision: 20181113 |
| رمز التحديث: | 20240628 |
| مُعرف محوري في PubMed: | PMC4260608 |
| DOI: | 10.1073/pnas.1419244111 |
| PMID: | 25404295 |
| قاعدة البيانات: | MEDLINE |
| تدمد: | 1091-6490 |
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| DOI: | 10.1073/pnas.1419244111 |