Vibrational dynamics of rutile-type GeO 2 from micro-Raman spectroscopy experiments and first-principles calculations

2015 ◽  
Vol 109 (2) ◽  
pp. 26007 ◽  
Author(s):  
A. Sanson ◽  
G. S. Pokrovski ◽  
M. Giarola ◽  
G. Mariotto
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
Vibrational Dynamics ◽  
Micro Raman Spectroscopy

Soft modes and anharmonicity inH3[Co(CN)6]: Raman spectroscopy and first-principles calculations

2015 ◽  
Vol 92 (13) ◽  
Author(s):  
K. K. Mishra ◽  
Sharat Chandra ◽  
Nilesh P. Salke ◽  
S. N. Achary ◽  
A. K. Tyagi ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
Soft Modes

Vibrational dynamics of single-crystal YVO4studied by polarized micro-Raman spectroscopy andab initiocalculations

2012 ◽  
Vol 86 (21) ◽  
Author(s):  
Andrea Sanson ◽  
Marco Giarola ◽  
Barbara Rossi ◽  
Gino Mariotto ◽  
Enzo Cazzanelli ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Single Crystal ◽  
Vibrational Dynamics ◽  
Micro Raman Spectroscopy

Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations

Nanoscale ◽  
2016 ◽  
Vol 8 (47) ◽  
pp. 19668-19676 ◽  
Author(s):  
Damien Tristant ◽  
Ahmed Zubair ◽  
Pascal Puech ◽  
Frédéric Neumayer ◽  
Sébastien Moyano ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Carbon Nanotube ◽  
First Principles ◽  
First Principles Calculations ◽  
Electrical Conductivities ◽  
Carbon Nanotube Fibers ◽  
Double Wall

scholarly journals Structure-dependent vibrational dynamics of Mg(BH4)2 polymorphs probed with neutron vibrational spectroscopy and first-principles calculations

2016 ◽  
Vol 18 (36) ◽  
pp. 25546-25552 ◽  
Author(s):  
Mirjana Dimitrievska ◽  
James L. White ◽  
Wei Zhou ◽  
Vitalie Stavila ◽  
Leonard E. Klebanoff ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Vibrational Spectroscopy ◽  
First Principles ◽  
Vibrational Properties ◽  
First Principles Calculations ◽  
Vibrational Dynamics

Neutron vibrational spectroscopy and DFT calculations are used in order to gain deeper insights into the structure-dependent vibrational properties of Mg(BH4)2 polymorphs.

Study of Phase Transformation in BaTe2O6 by in Situ High-Pressure X-ray Diffraction, Raman Spectroscopy, and First-Principles Calculations

2015 ◽  
Vol 55 (1) ◽  
pp. 227-238 ◽  
Author(s):  
K. K. Mishra ◽  
S. Nagabhusan Achary ◽  
Sharat Chandra ◽  
T. R. Ravindran ◽  
K. K. Pandey ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Pressure ◽  
Phase Transformation ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray

Anharmonic phonons of NaZr2(PO4)3studied by Raman spectroscopy, first-principles calculations, and x-ray diffraction

2012 ◽  
Vol 86 (14) ◽  
Author(s):  
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T. R. Ravindran ◽  
C. Ravi ◽  
Y. Sorb ◽  
N. Subramanian ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray
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