scholarly journals Infrared and Raman spectroscopy of α-ZrW2 O8 : A comprehensive density functional perturbation theory and experimental study

2018 ◽  
Vol 49 (8) ◽  
pp. 1373-1384 ◽  
Author(s):  
Philippe F. Weck ◽  
Margaret E. Gordon ◽  
Jeffery A. Greathouse ◽  
Charles R. Bryan ◽  
Stephen P. Meserole ◽  
...  
Keyword(s):  
Experimental Study ◽  
Raman Spectroscopy ◽  
Perturbation Theory ◽  
Density Functional ◽  
Density Functional Perturbation Theory ◽  
Infrared And Raman Spectroscopy

Pressure dependence of the lattice dynamics of diaspore, α-AlO(OH), from Raman spectroscopy and density functional perturbation theory

2011 ◽  
Vol 38 (9) ◽  
pp. 693-700 ◽  
Author(s):  
Roberto E. San Juan-Farfán ◽  
Lkhamsuren Bayarjargal ◽  
Björn Winkler ◽  
Eiken Haussühl ◽  
Miguel Avalos-Borja ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Perturbation Theory ◽  
Pressure Dependence ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Density Functional Perturbation Theory

scholarly journals Comprehensive Raman study of orthorhombic κ/ε-Ga2O3 and the impact of rotational domains

2021 ◽  
Author(s):  
Benjamin M. Janzen ◽  
Piero Mazzolini ◽  
Roland Gillen ◽  
Vivien F. S. Peltason ◽  
Linus P. Grote ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Perturbation Theory ◽  
Gallium Oxide ◽  
Density Functional ◽  
Phonon Modes ◽  
Micro Raman Spectroscopy ◽  
Density Functional Perturbation Theory ◽  
Raman Study ◽  
The Impact ◽  
Raman Active Phonon

The Raman-active phonon modes of orthorhombic gallium oxide (κ/ε-Ga2O3) are investigated by combination of polarized micro-Raman spectroscopy and density functional perturbation theory (DFPT) calculations.

scholarly journals Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

2015 ◽  
Vol 44 (43) ◽  
pp. 18769-18779 ◽  
Author(s):  
Philippe F. Weck ◽  
Eunja Kim ◽  
Veena Tikare ◽  
John A. Mitchell
Keyword(s):  
Mechanical Properties ◽  
Perturbation Theory ◽  
Elastic Properties ◽  
Density Functional ◽  
Mechanical Stability ◽  
Zirconium Alloys ◽  
Density Functional Perturbation Theory ◽  
Zirconium Hydrides

The elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy Pn3̄m δ-ZrH1.5 phase is not mechanically stable.

Phonon dispersion and zero-point renormalization of LiNbO3from density-functional perturbation theory

2015 ◽  
Vol 27 (38) ◽  
pp. 385402 ◽  
Author(s):  
Michael Friedrich ◽  
Arthur Riefer ◽  
Simone Sanna ◽  
W G Schmidt ◽  
Arno Schindlmayr
Keyword(s):  
Perturbation Theory ◽  
Density Functional ◽  
Phonon Dispersion ◽  
Zero Point ◽  
Density Functional Perturbation Theory
Sign in / Sign up

Export Citation Format

Share Document