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National Repository of Grey Literature 2 records found  Search took 0.00 seconds. 
Structure analysis of some transition metal silicides using X-ray diffraction and dynamical refinement against electron diffraction data
 Antunes Corrêa, Cinthia ; Janeček, Miloš (advisor) ; Kalvoda, Ladislav (referee) ; Kužel, Radomír (referee)
Title: Structure analysis of some transition metal silicides using X-ray diffraction and dynamical refinement against electron diffraction data Author: Cinthia Antunes Corrˆea Department: Physics of Materials Supervisor: prof. RNDr. Miloš Janeček, CSc., Department of Physics of Materials Abstract: This thesis presents the crystal structure analysis of several transition metal silicides. The crystal structures were studied primarily by precession electron diffraction tomography (PEDT) employing the dynamical refinement, a method recently developed for accurate crystal structure refinement of electron diffraction data. The optimal values of the parameters of the method were proposed based on the comparison between the dynamical refinement of PEDT data and a high- quality reference structure. We present the results of the comparison using a Ni2Si nanowire with the diameter of 15 nm. The average atomic distance between the model obtained by the dynamical refinement on PEDT data and the one by single crystal X-ray diffraction was 0.006 ˚A. Knowing the accuracy and limitations of the method, the crystal structure of Ni3Si2 was redetermined on a nanowire with 35 nm of diameter. The model obtained had an average error in the atomic posi- tions of 0.006 ˚A. These results show that the accuracy achieved by the dynamical...
Detailed record
Structure analysis of some transition metal silicides using X-ray diffraction and dynamical refinement against electron diffraction data
 Antunes Corrêa, Cinthia ; Janeček, Miloš (advisor) ; Kalvoda, Ladislav (referee) ; Kužel, Radomír (referee)
Title: Structure analysis of some transition metal silicides using X-ray diffraction and dynamical refinement against electron diffraction data Author: Cinthia Antunes Corrˆea Department: Physics of Materials Supervisor: prof. RNDr. Miloš Janeček, CSc., Department of Physics of Materials Abstract: This thesis presents the crystal structure analysis of several transition metal silicides. The crystal structures were studied primarily by precession electron diffraction tomography (PEDT) employing the dynamical refinement, a method recently developed for accurate crystal structure refinement of electron diffraction data. The optimal values of the parameters of the method were proposed based on the comparison between the dynamical refinement of PEDT data and a high- quality reference structure. We present the results of the comparison using a Ni2Si nanowire with the diameter of 15 nm. The average atomic distance between the model obtained by the dynamical refinement on PEDT data and the one by single crystal X-ray diffraction was 0.006 ˚A. Knowing the accuracy and limitations of the method, the crystal structure of Ni3Si2 was redetermined on a nanowire with 35 nm of diameter. The model obtained had an average error in the atomic posi- tions of 0.006 ˚A. These results show that the accuracy achieved by the dynamical...
Detailed record

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