Lattice dynamics of 119Sn impurity in a bcc-Cr crystal

被引：0

作者：

Dubiel, Stanislaw M. ^{[1
]}

Hu, Michael Y. ^{[2
]}

Sternik, Malgorzata ^{[3
]}

Alp, E. Ercan ^{[2
]}

Alatas, Ahmet ^{[2
]}

Said, Ayman ^{[2
]}

Parlinski, Krzysztof ^{[3
]}

Piekarz, Przemyslaw ^{[3
]}

机构：

[1] AGH Univ Krakow, Fac Phys & Appl Comp Sci, PL-30059 Krakow, Poland

[2] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA

[3] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2024年 / 36卷 / 45期

关键词：

NRIXS; DFT; lattice dynamics; local modes; magnetic properties; TOTAL-ENERGY CALCULATIONS; MOSSBAUER-EFFECT EVIDENCE; RAMAN-SCATTERING; LOCAL MODES; DENSITY; CHROMIUM; STATES;

D O I：

10.1088/1361-648X/ad6c97

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The chromium crystal doped with Sn-119 isotope was studied using the nuclear resonance inelastic x-ray scattering and first principles calculations. The Sn partial phonon density of states (PDOS) was obtained for three temperatures that correspond to different magnetic states of Cr. At all temperatures, the energy spectrum consists of a broad band around 18 meV and a narrow peak at 43 meV. The additional peak around 39 meV is observed only in the magnetically ordered phases, indicating the influence of magnetic order in chromium on lattice dynamics. The partial PDOS calculated with the antiferromagnetic order on Cr atoms show a very good agreement with the experimental data. It is revealed that the high-energy peak is lying above the phonon spectra of the pure bcc-Cr crystal. These are the local modes with the increased energies due to a strongly reduced distance between Sn and the nearest-neighbor Cr atoms.

引用

页数：8

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