Elastic and structural instability of cubic Sn3N4 and C3N4 under pressure

Article

关键词: NITRIDE THIN-FILMS;    TIN-NITRIDE;    THEORETICAL PREDICTION;    PHYSICAL-PROPERTIES;    SPINEL;    MEDIA;    PHASE;   

DOI  :  10.1103/PhysRevB.82.144112

来源: SCIE

【 摘 要 】

We use in situ high-pressure angle dispersive x-ray diffraction measurements to determine the equation of state of cubic tin nitride (lambda-Sn3N4) under pressure up to 26 GPa. While we find no evidence for any structural phase transition, our estimate of the bulk modulus (B-0) is 149(perpendicular to 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.

【 授权许可】

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