Spin-phonon coupling in K0.8Fe1.6Se2 and KFe2Se2: Inelastic neutron scattering and ab initio phonon calculations

被引：17

作者：

Mittal, R. ^{[1
]}

Gupta, M. K. ^{[1
]}

Chaplot, S. L. ^{[1
]}

Zbiri, M. ^{[2
]}

Rols, S. ^{[2
]}

Schober, H. ^{[2
,3
]}

Su, Y. ^{[4
]}

Brueckel, Th. ^{[4
,5
,6
]}

Wolf, T. ^{[7
]}

机构：

[1] Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India

[2] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France

[3] Univ Grenoble 1, UFR Phys, F-38041 Grenoble 9, France

[4] Forschungszentrum Juelich GmbH, Outstn FRM 2, JCNS FRM 2, D-85747 Garching, Germany

[5] Forschungszentrum Juelich GmbH, JCNS, D-52425 Julich, Germany

[6] Forschungszentrum Juelich GmbH, JARA FIT, Peter Gruenberg Inst PGI, D-52425 Julich, Germany

[7] Karlsruhe Inst Technol, Inst Festkorperphys, D-76021 Karlsruhe, Germany

来源：

PHYSICAL REVIEW B | 2013年 / 87卷 / 18期

关键词：

SUPERCONDUCTIVITY;

D O I：

10.1103/PhysRevB.87.184502

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report measurements of the temperature dependence of phonon densities of states in K0.8Fe1.6Se2 using inelastic neutron scattering technique. While cooling down to 150 K, a phonon peak splitting similar to 25 meV is observed and a new peak appears at 31 meV. The measurements support the recent Raman and infrared measurements, indicating a lowering of symmetry of K0.8Fe1.6Se2 upon cooling below 250 K. Ab initio phonon calculations have been carried out for K0.8Fe1.6Se2 and KFe2Se2. The comparison of the phonon spectra as obtained from the magnetic and nonmagnetic calculations show pronounced differences. We show that in the two calculations, the energy range of the vibrational contribution from both Fe and Se are quite different. We conclude that Fe magnetism is correlated to the phonon dynamics and plays an important role in stabilizing the structure of K0.8Fe1.6Se2, as well as that of KFe2Se2. The calculations highlight the presence of low energy optical vibrational modes in K0.8Fe1.6Se2 compared to KFe2Se2.

引用

页数：9

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