scholarly journals Effect of pressure, temperature, fluorine doping, and rare earth elements on the phonon density of states ofLFeAsO studied by nuclear inelastic scattering

2013 ◽  
Vol 87 (6) ◽  
Author(s):  
I. Sergueev ◽  
R. P. Hermann ◽  
D. Bessas ◽  
U. Pelzer ◽  
M. Angst ◽  
...  
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
Inelastic Scattering ◽  
Density Of States ◽  
Nuclear Inelastic Scattering ◽  
Phonon Density ◽  
Fluorine Doping ◽  
Phonon Density Of States ◽  
Effect Of Pressure

scholarly journals Application of Nuclear Inelastic Scattering Spectroscopy to the Frequency Scale Calibration of Ab Initio Calculated Phonon Density of States of Quasi-One-Dimensional Ternary Iron Chalcogenide RbFeSe2

2020 ◽  
Vol 10 (20) ◽  
pp. 7212
Author(s):  
Airat Kiiamov ◽  
Vladimir Tsurkan ◽  
Dorina Croitori ◽  
Hans-Albrecht Krug von Nidda ◽  
Zakir Seidov ◽  
...  
Keyword(s):  
Inelastic Scattering ◽  
Ab Initio ◽  
Temperature Dependence ◽  
Density Of States ◽  
Nuclear Inelastic Scattering ◽  
Phonon Density ◽  
Phonon Density Of States ◽  
One Dimensional ◽  
Frequency Scale ◽  
Frequency Correction

This study aims to examine the applicability of nuclear inelastic scattering (NIS) and conventional Mössbauer spectroscopy for calibration of the frequency scale of ab initio calculated phonon density of states (PDOS) of iron ternary chalcogenides. NIS measurements are carried out on the quasi-one-dimensional ternary chalcogenide RbFeSe2 to obtain the partial PDOS of the iron atoms in the compound. We compare the experimental PDOS with our previous results on vibrational properties of RbFeSe2 obtained with density functional theory (DFT) ab initio calculations, conventional Mössbauer, and infra-red spectroscopies. The experimental PDOS measured by NIS is collated with the ab initio calculated one. The frequency correction factor for the ab initio results is determined as 1.077, in good agreement with value of 1.08 obtained previously from the temperature dependence of the Lamb–Mössbauer factor of the iron atoms in RbFeSe2. We conclude that nuclear inelastic scattering and temperature dependence of the Lamb–Mössbauer factor in conventional Mössbauer spectroscopy can be equally applied for evaluation of the frequency correction factor for ab initio calculated phonon density of iron of ternary chalcogenides.

Phonon density of states on determined by 161Dy nuclear resonant inelastic scattering

2005 ◽  
Vol 359-361 ◽  
pp. 974-976 ◽  
Author(s):  
Hisao Kobayashi ◽  
Satoshi Tsutsui ◽  
Alfred Q.R. Baron ◽  
Satoru Kunii
Keyword(s):  
Inelastic Scattering ◽  
Density Of States ◽  
Phonon Density ◽  
Phonon Density Of States ◽  
Nuclear Resonant Inelastic Scattering

scholarly journals Changes in the phonon density of states of Fe induced by external strain

2020 ◽  
Vol 127 (1) ◽  
Author(s):  
Robert Meyer ◽  
Lena Scherthan ◽  
Tim Hochdörffer ◽  
Sakshath Sadashivaiah ◽  
Juliusz A. Wolny ◽  
...  
Keyword(s):  
Density Of States ◽  
Tensile Strain ◽  
Atomistic Simulations ◽  
Nuclear Inelastic Scattering ◽  
Phonon Density ◽  
Phonon Density Of States ◽  
Longitudinal Phonon ◽  
Phonon Peak ◽  
The Mean ◽  
External Strain

AbstractNuclear inelastic scattering of synchrotron radiation is used to study the changes induced by external tensile strain on the phonon density of states (pDOS) of polycrystalline Fe samples. The data are interpreted with the help of dedicated atomistic simulations. The longitudinal phonon peak at around 37 meV and also the second transverse peak at 27 meV are decreased under strain. This is caused by the production of defects under strain. Also the thermodynamic properties of the pDOS demonstrate a weakening of the force constants and of the mean phonon energy under strain. Remaining differences between experiment and simulation are discussed.

Phonon density of states of SmS under high pressure determined byS149mnuclear inelastic scattering

2008 ◽  
Vol 78 (10) ◽  
Author(s):  
U. Ponkratz ◽  
A. Barla ◽  
J. P. Sanchez ◽  
G. Lapertot ◽  
R. Rüffer ◽  
...  
Keyword(s):  
High Pressure ◽  
Inelastic Scattering ◽  
Density Of States ◽  
Phonon Density ◽  
Phonon Density Of States

The solids phonon density of states reconstruction from the heat-type experiments: the computation resources

1998 ◽  
Vol 3 (0) ◽  
pp. 135-138
Author(s):  
В. М. Різак ◽  
І. М. Різак ◽  
І. П. Коссей ◽  
В. В. Маслюк
Keyword(s):  
Density Of States ◽  
Phonon Density ◽  
Phonon Density Of States

scholarly journals Phonon density of states in Fe/Cr(001) superlattices and Tb–Fe thin-film alloys

1999 ◽  
Vol 198-199 ◽  
pp. 590-592 ◽  
Author(s):  
W. Sturhahn ◽  
R. Roehlsberger ◽  
E.E. Alp ◽  
T. Ruckert ◽  
H. Schrör ◽  
...  
Keyword(s):  
Thin Film ◽  
Density Of States ◽  
Phonon Density ◽  
Phonon Density Of States
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