scholarly journals ИК-активные фононы ионного кристалла LiNiPO-=SUB=-4-=/SUB=-

2021 ◽  
Vol 129 (1) ◽  
pp. 46
Author(s):  
С.А. Климин ◽  
М.С. Радионов ◽  
В.А. Яковлев ◽  
Н.Н. Новикова ◽  
А.В. Песчанский
Keyword(s):  
Experimental Study ◽  
Theoretical Analysis ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Phonon Spectrum ◽  
Reflection Spectroscopy ◽  
Spectroscopic Parameters ◽  
Temperature Changes ◽  
Ir Reflection ◽  
Group Theoretical Analysis

The results of an experimental study of the phonon spectrum of a LiNiPO4 single crystal by IR reflection spectroscopy are presented. The spectroscopic parameters of IR phonons are obtained. The observed number of phonons is mainly in agreement with the performed group-theoretical analysis, and the reasons for small discrepancies are discussed. With decreasing temperature, a hardening of phonon frequencies is observed, associated with temperature changes in the parameters of the crystal lattice.

Group-theoretical analysis of phonon spectrum in Th3P4 crystals

1975 ◽  
Vol 18 (11) ◽  
pp. 1549-1553 ◽  
Author(s):  
G. F. Karavaev ◽  
A. V. Khrapov
Keyword(s):  
Theoretical Analysis ◽  
Phonon Spectrum ◽  
Group Theoretical Analysis

scholarly journals Phonons in Short-Period GaN/AlN Superlattices: Group-Theoretical Analysis, Ab initio Calculations, and Raman Spectra

Nanomaterials ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 286
Author(s):  
Valery Davydov ◽  
Evgenii Roginskii ◽  
Yuri Kitaev ◽  
Alexander Smirnov ◽  
Ilya Eliseyev ◽  
...  
Keyword(s):  
Theoretical Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Density Functional ◽  
Structural Characteristics ◽  
Vibrational Modes ◽  
Phonon Modes ◽  
Short Period ◽  
Group Theoretical Analysis

We report the results of experimental and theoretical studies of phonon modes in GaN/AlN superlattices (SLs) with a period of several atomic layers, grown by submonolayer digital plasma-assisted molecular-beam epitaxy, which have a great potential for use in quantum and stress engineering. Using detailed group-theoretical analysis, the genesis of the SL vibrational modes from the modes of bulk AlN and GaN crystals is established. Ab initio calculations in the framework of the density functional theory, aimed at studying the phonon states, are performed for SLs with both equal and unequal layer thicknesses. The frequencies of the vibrational modes are calculated, and atomic displacement patterns are obtained. Raman spectra are calculated and compared with the experimental ones. The results of the ab initio calculations are in good agreement with the experimental Raman spectra and the results of the group-theoretical analysis. As a result of comprehensive studies, the correlations between the parameters of acoustic and optical phonons and the structure of SLs are obtained. This opens up new possibilities for the analysis of the structural characteristics of short-period GaN/AlN SLs using Raman spectroscopy. The results obtained can be used to optimize the growth technologies aimed to form structurally perfect short-period GaN/AlN SLs.

Effect of crystal orientation on droplet wetting behavior on single-crystal Al2O3 substrates: An experimental study

2020 ◽  
Vol 32 (12) ◽  
pp. 127110
Author(s):  
Chengyu He ◽  
Tie Liu ◽  
Lei Tian ◽  
Yubao Xiao ◽  
Shang Yuan ◽  
...  
Keyword(s):  
Experimental Study ◽  
Single Crystal ◽  
Crystal Orientation ◽  
Wetting Behavior

Static size effect of recycled coarse aggregate concrete: Experimental study, meso-scale simulation, and theoretical analysis

Structures ◽  
2021 ◽  
Vol 34 ◽  
pp. 2996-3012
Author(s):  
Hongyuan Zhou ◽  
Houzhan Zhou ◽  
Xiaojuan Wang ◽  
Wanlin Cao ◽  
Tianyi Song ◽  
...  
Keyword(s):  
Experimental Study ◽  
Theoretical Analysis ◽  
Size Effect ◽  
Coarse Aggregate ◽  
Aggregate Concrete ◽  
Recycled Coarse Aggregate ◽  
Meso Scale

Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex

2021 ◽  
Author(s):  
Cory James Windorff ◽  
María Joaquina Beltrán Leiva ◽  
Thomas E. Albrecht-Schmitt ◽  
Zhuanling Bai ◽  
Cristian Celis-Barros ◽  
...  
Keyword(s):  
Theoretical Analysis ◽  
Single Crystal ◽  
Phosphine Oxide ◽  
X Ray Diffraction ◽  
X Ray

The synthesis of trans-PuO2Cl2(OPcy3)2, 1-Pu, has been carried out and confirmed by single crystal X-ray diffraction along with UV-vis-NIR, and 31P NMR spectroscopies. Theoretical analysis finds that despite a higher...

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