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Academic literature on the topic 'Lattice Vibrational Modes'

Author: Grafiati
Published: 6 September 2023

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Journal articles on the topic "Lattice Vibrational Modes"

1

Prabhu, V. V., W. K. Schroll, L. L. Van Zandt, and E. W. Prohofsky. "Helical lattice vibrational modes in DNA." Physical Review Letters 60, no. 15 (1988): 1587. http://dx.doi.org/10.1103/physrevlett.60.1587.

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2

Kuimov, I. M., I. O. Raikov, and D. A. Parshin. "Vibrational dynamics in 2D crystal lattices of borophene." Journal of Physics: Conference Series 2086, no. 1 (2021): 012021. http://dx.doi.org/10.1088/1742-6596/2086/1/012021.

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Abstract Vibration dynamics of crystalline borophene is considered in the framework of the Born–von Karman model. The vibrations perpendicular to the plane of 2D borophen lattice (flexural modes) are studied.
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3

Iftikhar, Aneeza, A. Afaq, Iftikhar Ahmad, et al. "Computational Study of Ru2TiZ (Z = Si, Ge, Sn) for Structural, Mechanical and Vibrational Properties." Zeitschrift für Naturforschung A 74, no. 6 (2019): 545–50. http://dx.doi.org/10.1515/zna-2019-0054.

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AbstractThe structural, mechanical and vibrational properties of Ru2TiZ (Z = Si, Ge, Sn) Full Heusler Alloys (FHAs) are computed using PBE-GGA as an exchange-correlation functional in Kohn–Sham equations. The calculated lattice constants of these alloys in L21 phase deviate from experimental values upto 0.85 % which shows a good agreement between the model and the experiments. These lattice constants are then used to compute the second order elastic constants C11, C12 and C44 with Wien2k-code. Elastic moduli and mechanical parameters are also calculated by these three independent elastic const
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4

Bachurina, Olga V., Ramil T. Murzaev, and Dmitry V. Bachurin. "Molecular dynamics study of two-dimensional discrete breather in nickel." Journal of Micromechanics and Molecular Physics 04, no. 02 (2019): 1950001. http://dx.doi.org/10.1142/s2424913019500012.

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A discrete breather (DB) is a spatially localized vibrational mode of large amplitude in a defect-free anharmonic lattice. Generally, zero-dimensional DB is considered to be localized in all [Formula: see text] directions of the [Formula: see text]-dimensional lattice. However, the question of existence of DBs localized in [Formula: see text]–[Formula: see text] directions and delocalized in other [Formula: see text] directions remains open. In the present paper, for the first time, the case of [Formula: see text] and [Formula: see text] is considered by constructing a two-dimensional (2D) DB
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5

Tomaschitz, Roman. "Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited." Acta Crystallographica Section A Foundations and Advances 77, no. 5 (2021): 420–32. http://dx.doi.org/10.1107/s2053273321005507.

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A phenomenological model of anisotropic lattice vibrations is proposed, using a temperature-dependent spectral cutoff and varying Debye temperatures for the vibrational normal components. The internal lattice energy, entropy and Debye–Waller B factors of non-cubic elemental crystals are derived. The formalism developed is non-perturbative, based on temperature-dependent linear dispersion relations for the normal modes. The Debye temperatures of the vibrational normal components differ in anisotropic crystals; their temperature dependence and the varying spectral cutoff can be inferred from the
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6

Smith, PW, and R. Stranger. "Vibrational-Spectra of Salts of the Type-AI3[Mo2X9] with X = Cl, Br, I." Australian Journal of Chemistry 39, no. 8 (1986): 1269. http://dx.doi.org/10.1071/ch9861269.

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The far-infrared and Raman spectra of a series of alkali, ammonium and alkylammonium salts of Mo2X93- (X = Cl , Br, I) have been measured. All observed infrared-active vibrations, including lattice modes, together with certain Raman-active modes, have been assigned for the alkali salts of Mo2Cl93- on the basis of the D6h unit cell symmetry which applies. The vibrational assignments for the corresponding bromide and iodide complexes follow in the same relative order as those of Mo2Cl93-. The splitting of degenerate modes for certain alkylammonium salts of Mo2Cl93- has been interpreted on the ba
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7

Chechin, George, Denis Ryabov, and Stepan Shcherbinin. "Large-amplitude periodic atomic vibrations in diamond." Journal of Micromechanics and Molecular Physics 03, no. 01n02 (2018): 1850002. http://dx.doi.org/10.1142/s2424913018500029.

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Symmetry-determined nonlinear normal modes, which describe large-amplitude vibrations of diamond lattice, are studied by specific group-theoretical methods. For two of these modes, corresponding to vibrational state with and without multiplication of the unit cell, we present their atomic patterns and dynamical properties obtained with the aid of the ab initio simulations based on the density functional theory (DFT).
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8

Radionov, M. S., S. A. Klimin, A. Yu Glamazda, and A. V. Peschanskii. "IR vibrational modes and spin-phonon interplay in magnetoelectric LiNiPO4." Low Temperature Physics 48, no. 3 (2022): 246–52. http://dx.doi.org/10.1063/10.0009544.

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LiNiPO4, multifunctional material with potential ionic current and magnetoelectric applications, was studied by IR optical spectroscopy and lattice dynamic shell-model calculations. We present IR phonon parameters of lithium-nickel-phosphate, both experimental (at T = 30 K) and calculated ones. Multiferroic properties of lithium-nickel-phosphate were confirmed by temperature evolution of phonon band parameters due to spin-phonon interaction revealed for a number of phonon modes. The most pronounced effect was registered for B2 u IR-vibrational mode near 202 cm−1, which demonstrates anomalous t
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9

Щербинин, С. А., М. Н. Семенова, А. С. Семенов, Е. А. Корзникова, Г. М. Чечин та С. В. Дмитриев. "Динамика трехкомпонентной делокализованной нелинейной колебательной моды в графене". Физика твердого тела 61, № 11 (2019): 2163. http://dx.doi.org/10.21883/ftt.2019.11.48423.444.

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AbstractThe dynamics of a three-component nonlinear delocalized vibrational mode in graphene is studied with molecular dynamics. This mode, being a superposition of a root and two one-component modes, is an exact and symmetrically determined solution of nonlinear equations of motion of carbon atoms. The dependences of a frequency, energy per atom, and average stresses over a period that appeared in graphene are calculated as a function of amplitude of a root mode. We showed that the vibrations become periodic with certain amplitudes of three component modes, and the vibrations of one-component
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10

TALATI, MINA, and PRAFULLA K. JHA. "TEMPERATURE EFFECT ON VIBRATIONAL PROPERTIES OF La0.7Sr0.3MnO3." International Journal of Modern Physics B 23, no. 23 (2009): 4767–77. http://dx.doi.org/10.1142/s0217979209053783.

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Temperature dependence of phonons spectra and allied properties of rhombohedral La 0.7 Sr 0.3 MnO 3 are investigated by using the lattice dynamical method. A tendency of phonon mode to instability causing JT lattice distortion is reflected in a softening of the stretching mode in the phonon dispersion curve of La 0.7 Sr 0.3 MnO 3 at both 1.6 and 300 K. While the A1g mode softens because of gradual decrease in MnO 6 rotations, the stretching mode hardens upon reduction in temperature. The distinct features of phonon modes at different temperatures are also reflected in the calculated phonon den
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