Calculation of the lattice dynamics and Raman spectra of copper zinc tin chalcogenides and comparison to experiments

2012 ◽  
Vol 111 (8) ◽  
pp. 083707 ◽  
Author(s):  
Ankur Khare ◽  
Burak Himmetoglu ◽  
Melissa Johnson ◽  
David J. Norris ◽  
Matteo Cococcioni ◽  
...  
2012 ◽  
Vol 111 (12) ◽  
pp. 129901
Author(s):  
Ankur Khare ◽  
Burak Himmetoglu ◽  
Melissa Johnson ◽  
David J. Norris ◽  
Matteo Cococcioni ◽  
...  

1970 ◽  
Vol 48 (19) ◽  
pp. 2265-2271 ◽  
Author(s):  
A. Anderson ◽  
T. S. Sun ◽  
M. C. A. Donkersloot

The Raman spectra of polycrystalline α-nitrogen and α-carbon monoxide have been recorded at 18 °K, using argon–ion and helium–neon laser excitation. Previously undetected peaks at 60 cm−1 for N2 and 90.5 cm−1 for CO are assigned as librational modes, and splitting of the stretching mode in nitrogen is observed for the first time. Spectral features in both the intramolecular and lattice regions are assigned in accordance with accepted crystal structures, and their frequencies compared with those obtained from calculations based on a spherical Lennard–Jones potential and quadrupole–quadrupole interactions between the molecules.


1997 ◽  
Vol 81 (1) ◽  
pp. 224-233 ◽  
Author(s):  
M. P. Halsall ◽  
P. Dawson

2004 ◽  
Vol 46 (7) ◽  
pp. 1301-1310 ◽  
Author(s):  
A. N. Vtyurin ◽  
S. V. Goryainov ◽  
N. G. Zamkova ◽  
V. I. Zinenko ◽  
A. S. Krylov ◽  
...  

1984 ◽  
Vol 62 (8) ◽  
pp. 725-729 ◽  
Author(s):  
Pier Francesco Fracassi ◽  
Michael L. Klein

Lattice dynamics calculations are reported for the k = 0 modes of the ordered antiferroelectric phase III of solid potassium and sodium cyanides. The calculations are based on an interionic potential including electrostatic, dispersive, and repulsive interactions. The effect of these interactions on the librational modes of the system is discussed, and the results are compared with the observed Raman spectra for both materials.


2003 ◽  
Vol 0 (7) ◽  
pp. 2035-2038 ◽  
Author(s):  
V. Yu. Davydov ◽  
A. N. Smirnov ◽  
M. B. Smirnov ◽  
S. V. Karpov ◽  
I. N. Goncharuk ◽  
...  

1992 ◽  
Vol 45 (24) ◽  
pp. 14347-14353 ◽  
Author(s):  
S. Jiménez Sandoval ◽  
X. K. Chen ◽  
J. C. Irwin

1974 ◽  
Vol 2 (6) ◽  
pp. 573-583 ◽  
Author(s):  
T. S. Sun ◽  
A. Anderson

Sign in / Sign up

Export Citation Format

Share Document