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Estimation of inter-atomic force constants and phonon dispersion using correlation effects among thermal displacement of atoms in Ge
Sakuma T.a, Mohapatra S.R.a, Isozaki N.a, Uehara H.a, Xianglianb, Basar K.c, Takahashi H.a, Kamishima O.d, Igawa N.e
a Institute of Applied Beam Science, Ibaraki University, Japan
b College of Physics and Electronics Information, Inner Mongolia University for the Nationalities, China
c Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, India
d Department of Physics, Faculty of Engineering, Setsunan University, Japan
e Quantum Beam Science Directorate, Japan Atomic Energy Agency, Japan
[vc_row][vc_column][vc_row_inner][vc_column_inner][vc_separator css=”.vc_custom_1624529070653{padding-top: 30px !important;padding-bottom: 30px !important;}”][/vc_column_inner][/vc_row_inner][vc_row_inner layout=”boxed”][vc_column_inner width=”3/4″ css=”.vc_custom_1624695412187{border-right-width: 1px !important;border-right-color: #dddddd !important;border-right-style: solid !important;border-radius: 1px !important;}”][vc_empty_space][megatron_heading title=”Abstract” size=”size-sm” text_align=”text-left”][vc_column_text]Neutron diffraction measurements have been performed on powder Ge at 6, 150 and 300 K. Oscillatory diffuse scattering intensity is clearly observed at 150 and 300 K. The diffuse scattering theory including correlation effects among thermal displacements of atoms is applied to background function in the Rietveld analysis. The inter-atomic distance and temperature dependence of the values of correlation effects are discussed. The force constants among the first, second and third nearest neighboring atoms in Ge are obtained from the values of correlation effects and Debye-Waller temperature parameters. A phonon dispersion spectrum in Λ [111] direction for Ge crystal has also been calculated at 80 K using inter-atomic force constants and the crystal structure. © 2010 Elsevier B.V.All rights reserved.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Author keywords” size=”size-sm” text_align=”text-left”][vc_column_text]Correlation effect,Diffuse scattering,Force constants,Inter-atomic distances,Neutron diffraction measurements,Temperature dependence,Temperature parameters,Thermal displacements[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Indexed keywords” size=”size-sm” text_align=”text-left”][vc_column_text]Correlation effects,Diffuse scattering,Force constant,Ge,Neutron scattering,Phonon[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Funding details” size=”size-sm” text_align=”text-left”][vc_column_text]The authors wish to express their thanks to the Collaborative Project among Ibaraki University , Hitachi Ltd. , and Ibaraki Prefecture for financial support. This research was partially supported by the Ministry of Education, Science, Sports and Culture , Grant-in-Aid for Scientific Research (C), 21540314 , 2010. One of the authors (X.) wishes to express her thanks for financial support to the Inner Mongolia Autonomous Region University, China (Grant No. NJ10114) and the Doctor-Master research fund of Inner Mongolia University for the Nationalities, China (Grant No. BS239).[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”DOI” size=”size-sm” text_align=”text-left”][vc_column_text]https://doi.org/10.1016/j.jnoncrysol.2010.06.054[/vc_column_text][/vc_column_inner][vc_column_inner width=”1/4″][vc_column_text]Widget Plumx[/vc_column_text][/vc_column_inner][/vc_row_inner][/vc_column][/vc_row][vc_row][vc_column][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][/vc_column][/vc_row]