Phase Stability and Site Preference of Tb-Fe-Co-V Compounds

Table 5

The potential and kinetic energies of Tb₃Fe_27.4−𝑥Co_𝑥V_1.6 under different temperatures.

Compounds	Temperature	𝐸𝑝 (eV)	𝐸𝑘 (eV)	𝐸total (eV)	𝐸𝑝/𝐸total
𝑥=0.0	300 K	−1907.8644	12.4699	−1895.3944	1.0066
	500 K	−1898.9049	20.1887	−1878.7162	1.0107
	700 K	−1891.3703	29.0479	−1862.3224	1.0156
𝑥=0.1	300 K	−1907.4917	12.7817	−1894.7100	1.0067
	500 K	−1898.5085	20.1824	−1878.3261	1.0107
	700 K	−1889.7135	27.8954	−1861.8181	1.0150
𝑥=0.2	300 K	−1907.2399	13.0351	−1894.2048	1.0069
	500 K	−1898.6019	20.8418	−1877.7601	1.0111
	700 K	−1890.0060	28.8429	−1861.1631	1.0155
𝑥=0.3	300 K	−1905.9974	12.4685	−1893.5289	1.0066
	500 K	−1897.0235	19.9308	−1877.0927	1.0106
	700 K	−1889.9966	29.3169	−1860.6797	1.0158
𝑥=0.4	300 K	−1905.6689	12.7901	−1892.8788	1.0068
	500 K	−1898.0230	21.6214	−1876.4016	1.0115
	700 K	−1889.3255	29.3861	−1859.9394	1.0158