First-Principles Calculations to Investigate the Third-Order Elastic Constants and Mechanical Properties of Mg, Be, Ti, Zn, Zr, and Cd

Table 2

Calculated values for the lattice parameters , in Å) and elastic constants (, in GPa), and the available experimental and theoretical data are given.

	Mg	Be	Ti	Zn	Zr	Cd
	3.193	2.262	2.925	2.648	3.234	3.032
	3.	2.	2.	2.	3.	3.
	1.627	1.578	1.580	1.910	1.600	1.910
	1.	1.	1.	1.	1.	1.
	63.96	390.06	175.26	167.71	142.46	92.18
	67.27	367.95	191.25	61.79	164.98	40.04
	17.02	160.46	36.35	26.30	22.25	17.38
			46.		33.
	28.30	23.93	96.14	37.86	71.66	44.96
	20.51	13.823	81.21	48.46	63.19	31.89

^aReference [50] calculated from first-principles calculations. ^bReference [51] calculated from first-principles calculations. ^cReference [52] taken from Barrett and Massalski. ^dReference [53] obtianed from experiments. ^eReference [54] obtained from the data compiled by Hearmon. ^fReference [55] taken from Simmon and Wang. ^gReference [56] obtianed from an ultrasonic wave interference technique.