International Scholarly Research Notices

Research Article

Defect Studies in bcc and fcc Iron

Table 1

Different forms of ECF 𝑓 ( 𝑞 ) and corresponding fitted value of parameter 𝑟 𝑐 of AECMP in atomic unit (AU).
Different forms of 𝑓 ( 𝑞 ) bcc 𝛼 -Fefcc 𝛾 -Fe
King and Cutler [11, 12] 𝑞 2 2 ( 𝑞 2 + 2 𝑘 2 𝐹 ) 1.10171.0028
Sham [13] 𝑞 2 2 ( 𝑞 2 + 𝑘 2 𝐹 + 2 𝑘 𝐹 / 𝜋 𝑎 0 ) 1.11761.0204
Geldert and Vosko [14] 𝑞 2 2 [ 𝑞 2 + 2 𝑘 2 𝐹 / ( 1 + ( 0 . 0 2 6 𝑚 / 𝑚 ) ( 3 Ω / 4 𝜋 𝑧 𝑎 3 0 ) 1 / 3 ) ] 1.10691.0083
Kleinman [15] 1 4 𝑞 2 𝑘 2 𝐹 + 2 𝑘 𝐹 / 𝜋 𝑎 0 + 𝑞 2 𝑞 2 + 𝑘 2 𝐹 + 2 𝑘 𝐹 / 𝜋 𝑎 0 1.15361.0496
Harrison [16] 𝑞 2 2 ( 𝑞 2 + 𝑘 2 𝐹 + 𝑘 2 𝐹 / 3 ) 1.14321.0478
Vashishta and Singwi [17] 𝐴 ( 1 − 𝑒 − 𝐵 𝑞 2 / 𝑘 2 𝐹 ) 1.15391.0501
Taylor [18] 𝑞 2 4 𝑘 2 𝐹 1 + 0 . 1 5 3 4 𝜋 𝑘 𝐹 1.16871.0566
Hubbard [19] 𝑞 2 2 ( 𝑞 2 + 𝑘 2 𝐹 ) 1.17231.0789
Mahanti and Das [20] 𝑞 2 𝑘 2 𝐹 [ 1 + ( 2 / ( 1 + ( 0 . 0 2 6 𝑚 / 𝑚 ) ( 3 Ω / 4 𝜋 𝑧 𝑎 3 0 ) 1 / 3 ) ) 2 ] + 𝑞 2 𝑞 2 + 𝑘 2 𝐹 [ 1 + ( 2 / ( 1 + ( 0 . 0 2 6 𝑚 / 𝑚 ) ( 3 Ω / 4 𝜋 𝑧 𝑎 3 0 ) 1 / 3 ) ) 2 ] 1.23341.1282