Determination of the contribution of a phonon and a magnetic field to the chemical properties of the hydrogen molecule using the density functional theory approach

被引：1

作者：

Kenfack, S. C. ^{[1
,3
,4
]}

Mounbou, S. ^{[2
]}

Issofa, N. ^{[1
]}

Fewo, S. I. ^{[2
]}

Wirngo, A. V. ^{[4
]}

Fobasso, M. F. C. ^{[1
]}

Fotue, A. J. ^{[1
]}

Fai, L. C. ^{[2
]}

机构：

[1] Univ Dschang, Dept Phys, Lab Condensed Matter Elect & Signal Proc LAMACET, Fac Sci, POB 479, Dschang, Cameroon

[2] Univ Yaounde I, Fac Sci, Lab Mech, POB 812, Yaounde, Cameroon

[3] African Inst Math Sci, N1,Accra Cape Coast Rd, Biriwa, Ghana

[4] Univ Abomey Calavi, Int Chair Math Phys & Applicat, UNESCO Chair, POB 50, Cotonou 072, Benin

来源：

PHYSICA B-CONDENSED MATTER | 2019年 / 560卷

关键词：

Phonon; Magnetic field; Chemical potential; Chemical hardness; Density; Functional theory; METALLIC HYDROGEN; HARDNESS; SUPERCONDUCTIVITY; MODEL;

D O I：

10.1016/j.physb.2019.02.005

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The chemical properties of the hydrogen molecule under a magnetic field in a transverse configuration and in the presence of phonons are investigated using the Density Functional Theory. The hydrogen molecule is considered as a two-electron system confined in a Coulomb type parabolic external potential. It is shown that the electron density and the chemical hardness are not influenced by the presence of the phonon but strongly depend on the magnetic field. The latter preserves the intrinsic chemical properties of the molecule but weakens the electron-electron interaction. On the other hand, the chemical potential and the energy of the system are found to strongly depend on the phonon dynamics. It is also seen that phonon dynamics lead to an increase in the internal energy even at a constant critical value of the magnetic field.

引用

页码：197 / 203

页数：7

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