Mitsek A. I. The covalent theory of fcc Fe stability = Ковалентна теорія стійкості заліза у ГЦК-фазі / A. I. Mitsek // Укр. фіз. журн. - 2001. - 46, № 8. - С. 850-855. - Библиогр.: 16 назв. - англ.Stability of the Fe fcc phase (gamma-Fe) is defined by metal bonds of 4s- and a part 3d(t2g)-electrons and by covalent interactions of 3d(eg)- and a part of 3d(t2g)-electrons. The hybridization of electrons of the high (eg) 3d-level and 4s-band results in DOS peaks and antipeaks of band electrons (DOS - 4s - eg). In exactly the same way, the total transfer integral for band and covalent 3d(t2g)-electrons results in anomalies of DOS - t2g near the Fermi surface. Bonding covalent energies of parts of eg and t2g-electrons provide the stability of gamma-Fe at heating, though the occurrence of a soft mode of chemical (covalent) bond fluctuations (CBF) under pressure P, which destabilizes the fcc lattice, is possible. The antibonding covalent energy of the nearest neighbours is responsible for gamma-Fe antiferromagnetism. It gives the excess of the fcc lattice free energy above those for a bcc lattice, in which the bonding covalent energy of the nearest neighbours is responsible for alpha-Fe ferromagnetism. This excess explains the distinction of magnetic states of gamma-Fe and alpha-Fe and the stability of bcc alpha-Fe at low temperatures T < T0, where T0(P, x) is the line of polymorphous alpha - gamma-transitions for the impurity concentration x. Індекс рубрикатора НБУВ: Г128.11
Рубрики:
Шифр НБУВ: Ж26988 Пошук видання у каталогах НБУВ
Якщо, ви не знайшли інформацію про автора(ів) публікації, маєте бажання виправити або відобразити більш докладну інформацію про науковців України запрошуємо заповнити "Анкету науковця"
|