Vibrational Properties of α- and σ-Phase Fe-Cr Alloy

被引：25

作者：

Dubiel, S. M. ^{[1
]}

Cieslak, J. ^{[1
]}

Sturhahn, W. ^{[2
]}

Sternik, M. ^{[3
]}

Piekarz, P. ^{[3
]}

Stankov, S. ^{[4
]}

Parlinski, K. ^{[3
]}

机构：

[1] AGH Univ Sci & Technol, 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

[4] Karlsruher Inst Technol, Inst Synchrotron Radiat, DE-76344 Eggenstein Leopoldshafen, Germany

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 104卷 / 15期

关键词：

NUCLEAR RESONANT SCATTERING; AUGMENTED-WAVE METHOD; SPECTROSCOPY; TEMPERATURE; SYSTEM;

D O I：

10.1103/PhysRevLett.104.155503

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Experimental and theoretical studies, of the Fe-partial phonon density of states (PDOS) for Fe(52.5)Cr(47.5) alloy having alpha and sigma phases were carried out. The former using the nuclear resonant inelastic x-ray scattering method, and the latter with the direct one. Characteristic features of PDOS, which distinguish one phase from the other, were revealed and successfully reproduced by the theory. Data pertinent to the dynamics such as the Lamb-Mossbauer factor, f, the kinetic energy per atom, E(k), and the mean force constant, D, were directly derived, while vibrational specific heat at constant volume, C(V), and vibrational entropy, S were calculated using the Fe partial PDOS. Based on the values of f and C(V), we determined Debye temperatures, Theta(D). An excellent agreement for some quantities derived from experiment and first-principles theory, like C(V) and quite good ones for others like D and S were obtained.

引用

页数：4

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