تقرير
The crystal structure of cold compressed graphite
| العنوان: | The crystal structure of cold compressed graphite |
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| المؤلفون: | Amsler, Maximilian, Flores-Livas, José A., Lehtovaara, Lauri, Balima, Felix, Ghasemi, S. Alireza, Machon, Denis, Pailhès, Stéphane, Willand, Alexander, Caliste, Damien, Botti, Silvana, Miguel, Alfonso San, Goedecker, Stefan, Marques, Miguel A. L. |
| المصدر: | Phys. Rev. Lett. 108, 117004 (2012) |
| سنة النشر: | 2011 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Physics - Computational Physics |
| الوصف: | Through a systematic structural search we found an allotrope of carbon with Cmmm symmetry which we predict to be more stable than graphite for pressures above 10 GPa. This material, which we refer to as Z-carbon, is formed by pure sp3 bonds and is the only carbon allotrope which provides an excellent match to unexplained features in experimental X-ray diffraction and Raman spectra of graphite under pressure. The transition from graphite to Z-carbon can occur through simple sliding and buckling of graphene sheets. Our calculations predict that Z-carbon is a transparent wide band gap semiconductor with a hardness comparable to diamond. Comment: 4 pages, 5 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1103/PhysRevLett.108.117004 |
| URL الوصول: | http://arxiv.org/abs/1109.1158 |
| رقم الأكسشن: | edsarx.1109.1158 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1103/PhysRevLett.108.117004 |
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