Phonon dispersion curves for transition metals within the embedded-atom and embedded-defect methods

1997 ◽  
Vol 55 (9) ◽  
pp. 5570-5573 ◽  
Author(s):  
G. Simonelli ◽  
R. Pasianot ◽  
E. J. Savino
Keyword(s):  
Transition Metals ◽  
Phonon Dispersion ◽  
Dispersion Curves ◽  
Phonon Dispersion Curves ◽  
Embedded Atom

Calculation of Phonon Dispersion for 3d Transition Metals Cr and Fe by Modified Analytic Embedded Atom Method

2011 ◽  
Vol 411 ◽  
pp. 532-536
Author(s):  
You Xie ◽  
Jian Min Zhang
Keyword(s):  
Experimental Data ◽  
Transition Metals ◽  
Phonon Frequency ◽  
Phonon Dispersion ◽  
Phonon Dispersion Curve ◽  
Embedded Atom Method ◽  
Body Centered Cubic ◽  
Phonon Dispersion Curves ◽  
Embedded Atom ◽  
Good Agreement

The modified analytical embedded atom method is applied to calculate the phonon dispersion of body-centered cubic 3d transition metals Cr and Fe along five symmetry directions [q 0 0], [1 q q], [q q q], [q q 0] and [1/2 1/2 q]. Our results of phonon dispersion curves are in good agreement with the available experimental data. For the two transition metals Cr and Fe, along the same direction, a similar phonon dispersion curve is obtained in spite of the phonon frequency decreases for Cr and Fe due to the atom mass increases. There are no experimental results for comparison along the directions [1 q q] and [1/2 1/2 q], further experimental measurement are needed.

Phonon Dispersion Curves of aBC3Honeycomb Epitaxial Sheet

2004 ◽  
Vol 93 (17) ◽  
Author(s):  
H. Yanagisawa ◽  
T. Tanaka ◽  
Y. Ishida ◽  
M. Matsue ◽  
E. Rokuta ◽  
...  
Keyword(s):  
Phonon Dispersion ◽  
Dispersion Curves ◽  
Phonon Dispersion Curves
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