Pradhan, Gopal K. ; Kumar, Anil ; Deb, S. K. ; Waghmare, Umesh V. ; Narayana, Chandrabhas (2010) Elastic and structural instability of cubic Sn3N4 and C3N4 under pressure Physical Review B: Condensed Matter and Materials Physics, 82 (14). 144112_1-144112_5. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v82/i14/e144112
Related URL: http://dx.doi.org/10.1103/PhysRevB.82.144112
Abstract
We use in situ high-pressure angle dispersive x-ray diffraction measurements to determine the equation of state of cubic tin nitride (γ-Sn3N4) under pressure up to 26 GPa. While we find no evidence for any structural phase transition, our estimate of the bulk modulus (B0) is 149(±1.2) GPa, much lower than the earlier theoretical estimates and that of other group IV-nitrides. We corroborate and understand these results with complementary first-principles analysis of structural, elastic, and vibrational properties of group IV-nitrides, and predict a structural transition of Sn3N4 at a higher pressure of 88 GPa compared to earlier predictions of 40 GPa [ M. Huang and Y. P. Feng J. Appl. Phys. 96 4015 (2004)]. Our comparative analysis of cubic nitrides shows that bulk modulus of cubic C3N4 is the highest (379 GPa) while it is structurally unstable and should not exist at ambient conditions.
Item Type: | Article |
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Source: | Copyright of this article belongs to The American Physical Society. |
ID Code: | 59341 |
Deposited On: | 06 Sep 2011 05:51 |
Last Modified: | 18 May 2016 09:56 |
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