Report
Dimerization in honeycomb Na2RuO3 under pressure: a DFT study
| العنوان: | Dimerization in honeycomb Na2RuO3 under pressure: a DFT study |
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| المؤلفون: | Gazizova, D. D., Ushakov, A. V., Streltsov, S. V. |
| المصدر: | JETP Letters, Vol. 107, No. 8, p. 505 (2018) |
| سنة النشر: | 2018 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Strongly Correlated Electrons |
| الوصف: | The structural properties of Na2RuO3 under pressure are studied using density functional theory within the generalized gradient approximation (GGA). We found that one may expect a structural transition at ~ 3 GPa. This structure at the high-pressure phase is exactly the same as the low-temperature structure of Li2RuO3 (at ambient pressure) and is characterized by the P21/m space group. Ru ions form dimers in this phase and one may expect strong modification of the electronic and magnetic properties in Na2RuO3 at pressure higher than 3 GPa. Comment: 5 pages, 4 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1134/S0021364018080015 |
| URL الوصول: | http://arxiv.org/abs/1805.01257 |
| رقم الانضمام: | edsarx.1805.01257 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1134/S0021364018080015 |
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