Giant anharmonicity and nonlinear electron-phonon coupling in MgB2:: A combined first-principles calculation and neutron scattering study -: art. no. 037001

被引：387

作者：

Yildirim, T ^{[1
]}

Gülseren, O

Lynn, JW

Brown, CM

Udovic, TJ

Huang, Q

Rogado, N

Regan, KA

Hayward, MA

Slusky, JS

He, T

Haas, MK

Khalifah, P

Inumaru, K

Cava, RJ

机构：

[1] Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA

[2] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA

[3] Univ Maryland, College Pk, MD 20742 USA

[4] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA

[5] Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 87卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.87.037001

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB2 are carried out and found to be in excellent agreement with our inelastic neutron scattering measurements. The numerical results reveal that the E-2g in-plane boron phonons near the zone center are very anharmonic and strongly coupled to the planar B sigma bands near the Fermi level. This giant anharmonicity and nonlinear electron-phonon coupling is key to quantitatively explaining the observed high T-c and boron isotope effect in MgB2.

引用

页码：37001 / 1

页数：4

共 26 条

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An, J.M., 2001, American Institute of Physics Inc. (86)

[2] Boron isotope effect in superconducting MgB2 [J].