Project supported by the National Natural Science Foundation of China (Grant Nos. 11105115 and 11005088) and the Project of Basic and Advanced Technology of Henan Province, China (Grant No. 112300410021).
The plane-wave pseudo-potential method within the framework of ab initio technique is used to investigate the structural and elastic properties of α-and β-Si3N4. The ground-state parameters accord quite well with th...