scholarly journals 3D phonon dispersion surface of incommensurate phases of alpha-U metal

2007 ◽  
Vol 92 ◽  
pp. 012173 ◽  
Author(s):  
J-C Marmeggi ◽  
G H Lander ◽  
A Bouvet ◽  
R Currat
Materials ◽  
2021 ◽  
Vol 15 (1) ◽  
pp. 79
Author(s):  
Sergey Vakhrushev ◽  
Alexey Filimonov ◽  
Konstantin Petroukhno ◽  
Andrey Rudskoy ◽  
Stanislav Udovenko ◽  
...  

The question of the microscopic origin of the M-superstructure and additional satellite peaks in the Zr-rich lead zirconate-titanate is discussed for nearly 50 years. Clear contradiction between the selection rules of the critical scattering and the superstructure was found preventing unambiguous attributing of the observed superstructure either to the rotation of the oxygen octahedra or to the antiparallel displacements of the lead cations. Detailed analysis of the satellite pattern explained it as the result of the incommensurate phase transition rather than antiphase domains. Critical dynamics is the key point for the formulated problems. Recently, the oxygen tilt soft mode in the PbZr0.976Ti0.024O3 (PZT2.4) was found. But this does not resolve the extinction rules contradiction. The results of the inelastic X-ray scattering study of the phonon spectra of PZT2.4 around M-point are reported. Strong coupling between the lead and oxygen modes resulting in mode anticrossing and creation of the wide flat part in the lowest phonon dispersion curves is identified. This flat part corresponds to the mixture of the displacements of the lead and oxygen ions and can be an explanation of the extinction rules contradiction. Moreover, a flat dispersion surface is a typical prerequisite for the incommensurate phase transition.


Author(s):  
J. Gjønnes ◽  
N. Bøe ◽  
K. Gjønnes

Structure information of high precision can be extracted from intentsity details in convergent beam patterns like the one reproduced in Fig 1. From low order reflections for small unit cell crystals,bonding charges, ionicities and atomic parameters can be derived, (Zuo, Spence and O’Keefe, 1988; Zuo, Spence and Høier 1989; Gjønnes, Matsuhata and Taftø, 1989) , but extension to larger unit cell ma seem difficult. The disks must then be reduced in order to avoid overlap calculations will become more complex and intensity features often less distinct Several avenues may be then explored: increased computational effort in order to handle the necessary many-parameter dynamical calculations; use of zone axis intensities at symmetry positions within the CBED disks, as in Figure 2 measurement of integrated intensity across K-line segments. In the last case measurable quantities which are well defined also from a theoretical viewpoint can be related to a two-beam like expression for the intensity profile:With as an effective Fourier potential equated to a gap at the dispersion surface, this intensity can be integrated across the line, with kinematical and dynamical limits proportional to and at low and high thickness respctively (Blackman, 1939).


1986 ◽  
Vol 47 (C3) ◽  
pp. C3-437-C3-446 ◽  
Author(s):  
J. W. STEEDS ◽  
R. AYER ◽  
Y. P. LIN ◽  
R. VINCENT

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Ruishi Qi ◽  
Ning Li ◽  
Jinlong Du ◽  
Ruochen Shi ◽  
Yang Huang ◽  
...  

AbstractDirectly mapping local phonon dispersion in individual nanostructures can advance our understanding of their thermal, optical, and mechanical properties. However, this requires high detection sensitivity and combined spatial, energy and momentum resolutions, thus has been elusive. Here, we demonstrate a four-dimensional electron energy loss spectroscopy technique, and present position-dependent phonon dispersion measurements in individual boron nitride nanotubes. By scanning the electron beam in real space while monitoring both the energy loss and the momentum transfer, we are able to reveal position- and momentum-dependent lattice vibrations at nanometer scale. Our measurements show that the phonon dispersion of multi-walled nanotubes is locally close to hexagonal-boron nitride crystals. Interestingly, acoustic phonons are sensitive to defect scattering, while optical modes are insensitive to small voids. This work not only provides insights into vibrational properties of boron nitride nanotubes, but also demonstrates potential of the developed technique in nanoscale phonon dispersion measurements.


Author(s):  
Muhammad Yar Khan ◽  
Yan Liu ◽  
Tao Wang ◽  
Hu Long ◽  
Miaogen Chen ◽  
...  

AbstractMonolayer MnCX3 metal–carbon trichalcogenides have been investigated by using the first-principle calculations. The compounds show half-metallic ferromagnetic characters. Our results reveal that their electronic and magnetic properties can be altered by applying uniaxial or biaxial strain. By tuning the strength of the external strain, the electronic bandgap and magnetic ordering of the compounds change and result in a phase transition from the half-metallic to the semiconducting phase. Furthermore, the vibrational and thermodynamic stability of the two-dimensional structure has been verified by calculating the phonon dispersion and molecular dynamics. Our study paves guidance for the potential applications of these two mono-layers in the future for spintronics and straintronics devices.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Erik S. Sørensen ◽  
Andrei Catuneanu ◽  
Jacob S. Gordon ◽  
Hae-Young Kee

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