Electronic and vibrational properties of molecules at high pressures. Hydrogen molecule in a rigid spheroidal box

1981 ◽  
Vol 85 (19) ◽  
pp. 2798-2804 ◽  
Author(s):  
R. LeSar ◽  
D. R. Herschbach
Keyword(s):  
Hydrogen Molecule ◽  
High Pressures ◽  
Vibrational Properties

Tuning of the Electronic and Vibrational Properties of Transition Metal Selenides TSe2 (T = Os, Ru) and Their Metallization at High Pressures

JETP Letters ◽  
2020 ◽  
Vol 111 (8) ◽  
pp. 456-462
Author(s):  
P. G. Naumov ◽  
A. O. Baskakov ◽  
S. S. Starchikov ◽  
I. S. Lyubutin ◽  
Yu. L. Ogarkova ◽  
...  
Keyword(s):  
Transition Metal ◽  
High Pressures ◽  
Vibrational Properties ◽  
Metal Selenides

Vibrational properties of delafossiteCuGaO2at ambient and high pressures

2005 ◽  
Vol 72 (6) ◽  
Author(s):  
J. Pellicer-Porres ◽  
A. Segura ◽  
E. Martínez ◽  
A. M. Saitta ◽  
A. Polian ◽  
...  
Keyword(s):  
High Pressures ◽  
Vibrational Properties

scholarly journals Combined Experimental and Theoretical Studies: Lattice-Dynamical Studies at High Pressures with the Help of Ab Initio Calculations

Minerals ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1283
Author(s):  
Francisco Javier Manjón ◽  
Juan Ángel Sans ◽  
Placida Rodríguez-Hernández ◽  
Alfonso Muñoz
Keyword(s):  
Raman Scattering ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Phase Change Materials ◽  
High Pressures ◽  
Complete Characterization ◽  
Vibrational Properties ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

Lattice dynamics studies are important for the proper characterization of materials, since these studies provide information on the structure and chemistry of materials via their vibrational properties. These studies are complementary to structural characterization, usually by means of electron, neutron, or X-ray diffraction measurements. In particular, Raman scattering and infrared absorption measurements are very powerful, and are the most common and easy techniques to obtain information on the vibrational modes at the Brillouin zone center. Unfortunately, many materials, like most minerals, cannot be obtained in a single crystal form, and one cannot play with the different scattering geometries in order to make a complete characterization of the Raman scattering tensor of the material. For this reason, the vibrational properties of many materials, some of them known for millennia, are poorly known even under room conditions. In this paper, we show that, although it seems contradictory, the combination of experimental and theoretical studies, like Raman scattering experiments conducted at high pressure and ab initio calculations, is of great help to obtain information on the vibrational properties of materials at different pressures, including at room pressure. The present paper does not include new experimental or computational results. Its focus is on stressing the importance of combined experimental and computational approaches to understand materials properties. For this purpose, we show examples of materials already studied in different fields, including some hot topic areas such as phase change materials, thermoelectric materials, topological insulators, and new subjects as metavalent bonding.

Vibrational properties of PbHf0.975Sn0.025O3 single crystal at high pressures

2019 ◽  
Vol 125 (1) ◽  
pp. 014101 ◽  
Author(s):  
I. Jankowska-Sumara ◽  
J.-T. Hong ◽  
B. W. Lee ◽  
J.-H. Ko ◽  
M. Podgórna ◽  
...  
Keyword(s):  
Single Crystal ◽  
High Pressures ◽  
Vibrational Properties

Structural transformation and vibrational properties ofBaO2at high pressures

2010 ◽  
Vol 82 (13) ◽  
Author(s):  
I. Efthimiopoulos ◽  
K. Kunc ◽  
S. Karmakar ◽  
K. Syassen ◽  
M. Hanfland ◽  
...  
Keyword(s):  
Structural Transformation ◽  
High Pressures ◽  
Vibrational Properties

Tuning the electronic and vibrational properties of Sn2P2Se6and Pb2P2S6crystals and their metallization under high pressure

2017 ◽  
Vol 46 (13) ◽  
pp. 4245-4258 ◽  
Author(s):  
Sergey V. Ovsyannikov ◽  
Natalia V. Morozova ◽  
Igor V. Korobeinikov ◽  
Vasyl Haborets ◽  
Ruslan Yevych ◽  
...  
Keyword(s):  
High Pressure ◽  
High Pressures ◽  
Vibrational Properties ◽  
Band Structures ◽  
Electronic Band ◽  
Electronic Band Structures

Ferroelectric Sn2P2Se6and paraelectric Pb2P2S6demonstrate the remarkable responses of their electronic band structures to applied high pressures.

Erratum: Vibrational properties of delafossiteCuGaO2at ambient and high pressures [Phys. Rev. B72, 064301 (2005)]

2006 ◽  
Vol 74 (13) ◽  
Author(s):  
J. Pellicer-Porres ◽  
A. Segura ◽  
E. Martínez ◽  
A. M. Saitta ◽  
A. Polian ◽  
...  
Keyword(s):  
High Pressures ◽  
Vibrational Properties

Vibrational properties of ZnTe at high pressures

2002 ◽  
Vol 14 (4) ◽  
pp. 739-757 ◽  
Author(s):  
J Camacho ◽  
I Loa ◽  
A Cantarero ◽  
K Syassen
Keyword(s):  
High Pressures ◽  
Vibrational Properties

Thermal and vibrational properties of silica xerogels

1998 ◽  
Vol 77 (2) ◽  
pp. 333-340 ◽  
Author(s):  
A. Fontana, F. Rossi, G. Carini, G. D'
Keyword(s):  
Vibrational Properties ◽  
Silica Xerogels
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