Simulation of thermal diffuse scattering including a detailed phonon dispersion curve

2001 ◽  
Vol 86 (3-4) ◽  
pp. 371-380 ◽  
Author(s):  
David A. Muller ◽  
Byard Edwards ◽  
Earl J. Kirkland ◽  
John Silcox
MRS Advances ◽  
2016 ◽  
Vol 1 (48) ◽  
pp. 3263-3268
Author(s):  
Kyle M. McElhinny ◽  
Gokul Gopalakrishnan ◽  
Donald E. Savage ◽  
David A. Czaplewski ◽  
Max G. Lagally ◽  
...  

ABSTRACTNanostructures offer the opportunity to control the vibrational properties of via the scattering of phonons due to boundaries and mass disorder as well as through changes in the phonon dispersion due to spatial confinement. Advances in understanding these effects have the potential to lead to thermoelectrics with an improved figure of merit by lowering the thermal conductivity and to provide insight into electron-phonon scattering rates in nanoelectronics. Characterizing the phonon population in nanomaterials has been challenging because of their small volume and because optical techniques probe only a small fraction of reciprocal space. Recent developments in x-ray scattering now allow the phonon population to be evaluated across all of reciprocal space in samples with volumes as small as several cubic micrometers. We apply this approach, synchrotron x-ray thermal diffuse scattering (TDS), to probe the population of phonons within a Si/SiGe/Si trilayer nanomembrane. The distributions of scattered intensity from Si/SiGe/Si trilayer nanomembranes and Si nanomembranes with uniform composition are qualitatively similar, with features arising from the elastic anisotropy of the diamond structure. The TDS signal for the Si/SiGe/Si nanomembrane, however, has higher intensity than the Si membrane of the same total thickness by approximately 3.75%. Possible origins of the enhancement in scattering from SiGe in comparison with Si include the larger atomic scattering factor of Ge atoms within the SiGe layer or reduced phonon frequencies due to alloying.


Author(s):  
Ruqing Xu ◽  
Tai C. Chiang

AbstractThermal diffuse scattering (TDS) of X-rays from crystals contains information on phonons. This paper reviews the general theory of TDS and some recent experiments aimed at further developing TDS into a useful and efficient method for studying phonon dispersion relations.


Author(s):  
G. E. Bacon ◽  
D. H. Titterton ◽  
C. R. Walker

AbstractNeutron-diffraction data have been collected from a KBr single crystal. 380 reflections were measured, reducing to 23 when averaged over equivalents. Data were corrected for extinction and thermal diffuse scattering and refinement yielded a neutron coherent scattering amplitude


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