Journal ArticleDOI
Raman scattering study of zinc blende and wurtzite ZnS
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TLDR
In this article, the first and second-order Raman scattering of zinc blende and wurtzite ZnS was studied and the origins of these vibration modes in the second order Raman spectra from these two polymorphs were identified for the first time.Abstract:
We have conducted an experimental and theoretical study on first- and second-order Raman scattering of zinc blende and wurtzite ZnS. Based on the calculated phonon band structure, phonon density of states, and symmetry selection rules, we have clearly identified for the first time the origins of these vibration modes in the second-order Raman spectra from these two polymorphs. For zinc blende ZnS, it is found that the previously estimated frequency of the LA mode at X point in the Brillouin-zone boundary is much smaller than the value obtained from other experiments and our calculation. Considering the involvement of LA phonon at X point, we reassign the second-order Raman active modes and some other modes which have not yet been understood so far. This work clarifies some of the controversial Raman mode assignments in zinc blende and wurtzite ZnS.read more
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References
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Journal ArticleDOI
Phonons and related crystal properties from density-functional perturbation theory
TL;DR: In this paper, the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudopotential method, is reviewed.
Journal ArticleDOI
Temperature dependence of Raman scattering in ZnO
Ramón Cuscó,Esther Alarcon-Llado,Jordi Ibáñez,Luis Artús,Juan Jiménez,Buguo Wang,Michael J. Callahan +6 more
TL;DR: In this paper, a Raman scattering study of wurtzite was carried out over a temperature range from 80 to 750°C, where the second-order Raman features were interpreted in the light of recent ab initio phonon density of states calculations.
Journal ArticleDOI
Resonant Raman scattering in cubic and hexagonal boron nitride
TL;DR: In this article, first and second-order Raman scattering in cubic and hexagonal boron nitride using excitation energies in the visible and in the UV was measured.
Journal ArticleDOI
First-principles calculation of vibrational Raman spectra in large systems: signature of small rings in crystalline SiO2.
Michele Lazzeri,Francesco Mauri +1 more
TL;DR: The signature of 3- and 4-membered rings in the Raman spectra of several polymorphs of SiO2, including a zeolite having 102 atoms per unit cell is studied.
Journal ArticleDOI
Zone-boundary phonons in hexagonal and cubic GaN
H. Siegle,G. Kaczmarczyk,L. Filippidis,Alexander P. Litvinchuk,Axel Hoffmann,Christian Thomsen +5 more
TL;DR: In this paper, the second-order Raman-scattering experiments on hexagonal and cubic GaN covering the acoustic and the optical overtone spectral region were presented, and the observed structures were assigned to particular phonon branches and determined the points in the Brillouin zone from which the scattering originates.