Phase stability of BCC transition metals: Role of d-electrons
Abdullah M. Hussein*, S. M. Mujibur Rahman
The role of d-electrons in the structural phase stability of bcc transition metals viz. V, Fe, Cr and Mn are investigated. The underlying theory expresses the relevant structural part of the free energy in terms of the repulsion of the d-electron muffin-tin orbitals assigned to atomic sites and the attractive contribution arising from the band broadening effects of the d-bands in the total energy. The magnetic contribution arising from the population of magnetic moments in the systems is also included in the theory. The delectronic contribution to entropy is written in terms of the density-of-electronic states at the respective Fermi level. The phase stability of the bcc transition metals is explained in terms of the population of atoms on the local and extended sites. It is observed that the d-electron energetics can precisely and correctly predict the crystal structure of the bcc transition metals.
International Journal of Modern Physics B
Dive into the research topics of 'Phase stability of BCC transition metals: Role of d-electrons'. Together they form a unique fingerprint.
Transition Element Physics 100%
Transition Metal Physics 100%
Electrons Physics 100%
Energetics Physics 50%
Orbitals Physics 25%
Magnetic Moment Physics 25%
Entropy Physics 25%
Free Energy Physics 25%
Hussein, A. M., & Mujibur Rahman, S. M. (2000). Phase stability of BCC transition metals: Role of d-electrons. International Journal of Modern Physics B, 14(6), 635-642. https://doi.org/10.1016/S0217-9792(00)00057-1
Phase stability of BCC transition metals : Role of d-electrons. / Hussein, Abdullah M.; Mujibur Rahman, S. M.
In: International Journal of Modern Physics B, Vol. 14, No. 6, 10.03.2000, p. 635-642.
Hussein, AM & Mujibur Rahman, SM 2000, 'Phase stability of BCC transition metals: Role of d-electrons', International Journal of Modern Physics B, vol. 14, no. 6, pp. 635-642. https://doi.org/10.1016/S0217-9792(00)00057-1
Hussein AM, Mujibur Rahman SM. Phase stability of BCC transition metals: Role of d-electrons. International Journal of Modern Physics B. 2000 Mar 10;14(6):635-642. doi: 10.1016/S0217-9792(00)00057-1
Hussein, Abdullah M. ; Mujibur Rahman, S. M. / Phase stability of BCC transition metals : Role of d-electrons. In: International Journal of Modern Physics B. 2000 ; Vol. 14, No. 6. pp. 635-642.
@article{034dad228f3d46e89b6a0033e2344040,
title = "Phase stability of BCC transition metals: Role of d-electrons",
abstract = "The role of d-electrons in the structural phase stability of bcc transition metals viz. V, Fe, Cr and Mn are investigated. The underlying theory expresses the relevant structural part of the free energy in terms of the repulsion of the d-electron muffin-tin orbitals assigned to atomic sites and the attractive contribution arising from the band broadening effects of the d-bands in the total energy. The magnetic contribution arising from the population of magnetic moments in the systems is also included in the theory. The delectronic contribution to entropy is written in terms of the density-of-electronic states at the respective Fermi level. The phase stability of the bcc transition metals is explained in terms of the population of atoms on the local and extended sites. It is observed that the d-electron energetics can precisely and correctly predict the crystal structure of the bcc transition metals.",
author = "Hussein, {Abdullah M.} and {Mujibur Rahman}, {S. M.}",
journal = "International Journal of Modern Physics B",
publisher = "World Scientific Publishing Co. Pte Ltd",
T1 - Phase stability of BCC transition metals
T2 - Role of d-electrons
AU - Hussein, Abdullah M.
AU - Mujibur Rahman, S. M.
N2 - The role of d-electrons in the structural phase stability of bcc transition metals viz. V, Fe, Cr and Mn are investigated. The underlying theory expresses the relevant structural part of the free energy in terms of the repulsion of the d-electron muffin-tin orbitals assigned to atomic sites and the attractive contribution arising from the band broadening effects of the d-bands in the total energy. The magnetic contribution arising from the population of magnetic moments in the systems is also included in the theory. The delectronic contribution to entropy is written in terms of the density-of-electronic states at the respective Fermi level. The phase stability of the bcc transition metals is explained in terms of the population of atoms on the local and extended sites. It is observed that the d-electron energetics can precisely and correctly predict the crystal structure of the bcc transition metals.
AB - The role of d-electrons in the structural phase stability of bcc transition metals viz. V, Fe, Cr and Mn are investigated. The underlying theory expresses the relevant structural part of the free energy in terms of the repulsion of the d-electron muffin-tin orbitals assigned to atomic sites and the attractive contribution arising from the band broadening effects of the d-bands in the total energy. The magnetic contribution arising from the population of magnetic moments in the systems is also included in the theory. The delectronic contribution to entropy is written in terms of the density-of-electronic states at the respective Fermi level. The phase stability of the bcc transition metals is explained in terms of the population of atoms on the local and extended sites. It is observed that the d-electron energetics can precisely and correctly predict the crystal structure of the bcc transition metals.
JO - International Journal of Modern Physics B
JF - International Journal of Modern Physics B