Search Results - "SHRIVASTAVA, Keshav N"

DFT calculation of vibrational frequencies of clusters in GaAs and the Raman spectra by Radhika Devi, V., Shrivastava, Keshav N.

“…[Display omitted] ► The work describes the first principle calculations. ► The cluster calculations help understand the Raman spectra. ► The stability of…”
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Ab initio calculation of vibrational frequencies of AsO glass by Rosli, Ahmad Nazrul, Zabidi, Noriza Ahmad, Kassim, Hasan Abu, Shrivastava, Keshav N.

“…We have used the density-functional theory to make models containing arsenic and oxygen atoms. The structures are optimized for the minimum energy of the…”
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Ab initio calculation of vibrational frequencies and Raman spectra of barium peroxide glass including comparison of tetrahedral BaO4 with GeO4 and SiO4 by Rosli, Ahmad Nazrul, Zabidi, Noriza Ahmad, Kassim, Hasan Abu, Shrivastava, Keshav N

“…We have calculated the vibrational frequencies of clusters of atoms from the first principles by using the density-functional theory in the local density…”
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Ab initio calculation of vibrational frequencies of GexSe1−x glass by Jemali, Nor Aiyyuhal, Kassim, Hasan Abu, Radhika Devi, V., Shrivastava, Keshav N.

“…We have used the density functional theory to make the models of GexSe1−x glass for which the energy is a minimum. The clusters, Ge2Se2, Ge2Se3, Ge3Se, Ge3Se2,…”
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DFT Calculations of Vibrational Frequencies of Carbon–Nitrogen Clusters: Raman Spectra of Carbon Nitrides by Rosli, Ahmad Nazrul, Zabidi, Noriza Ahmad, Kassim, Hasan A., Shrivastava, Keshav N.

“…We have performed the calculation of structures of clusters containing carbon and nitrogen atoms. We determine the bond lengths in each case. We also calculate…”
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Ab initio calculation of vibrational frequencies of GexPxS1-2x glass by HASAN ABU KASSIM, ITHNIN ABDUL JALIL, YUSOF, Norhasliza, RADHIKA DEVI, V, SHRIVASTAVA, Keshav N

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Elementary theory of quantum Hall effect by Keshav N. Shrivastava

“…The Hall effect is the generation of a current perpendicular to both the direction of the applied electric as well as magnetic field in a metal or in a…”
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Density-Functional Theory of Vibrations in Ni1−xVx Clusters by Rosli, Ahmad Nazrul, Zabidi, Noriza Ahmad, Kassim, Hasan A., Shrivastava, Keshav N.

“…We have performed the calculation of the vibrational frequencies, Fermi energy and binding energy for several clusters of Ni and vanadium atoms by using the…”
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Specific Heat of Nanocrystals by Shrivastava, Keshav N

“…We find that the phonons of certain frequencies are scattered by the boundary of the nanocrystal so that the specific heat depends on the size of the…”
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A structural-feature-based computational approach for toxicity prediction of water-soluble arsenicals by Salam, M. Abdus, Jesudason, C.G., Shrivastava, Keshav N., Islam, M. Aminul

“…We have used the density functional theory to make a toxicity prediction model of water-soluble arsenicals (WSA). The structures have been optimised for the…”
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Melting Temperature, Brillouin Shift, and Density of States of Nanocrystals by Shrivastava, Keshav N

“…The amplitude of displacement of atoms due to scattering at the surface is calculated. It is found that the zero-point vibrational correction to the…”
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Crossing points in the electronic band structure of vanadium oxide by Keshav N. Shrivastava

“…The electronic band structures of several models of vanadium oxide are calculated. In the models 1-3, every vanadium atom is connected to 4 oxygen atoms and…”
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Ab initio calculation of vibrational frequencies of Ge0.25S0.75−yIy glass by Radhika Devi, V., Bindu Madhavi, M., Srihari, E.L., Shrivastava, Keshav N., Boolchand, Punit

“…The vibrational frequencies of Ge4, S4, I4, SI3, Ge2I2, S2I2, Ge2S2, Ge2SI, GeS3, GeI2S, Ge3S and GeI3 are computed using first principles. These frequencies…”
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Flux quantized magnetization of superconducting aluminium by N. Shrivastava, Keshav

“…The magnetization of a small disc of superconducting aluminium at low magnetic fields is found to show jumps at integer multiples of the fundamental flux…”
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Density functional theory calculations of molecular nitrogen on a ruthenium cluster by Shrivastava, Keshav N, Ammal, S.S.C, Tsuruya, H, Takami, S, Endou, A, Kubo, M, Teraishi, K, Miyamoto, Akira, Ozaki, Atsumu

“…Density functional theory calculations for the adsorption of molecular nitrogen on a ruthenium surface are reported. It is found that the N2 molecule is…”
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Interpretation of the Raman spectra of the glassy states of SixS1−x and SixSe1−x by Devi, V. Radhika, Zabidi, Noriza Ahmad, Shrivastava, Keshav N.

“…We use the density-functional theory to make models of SixSy and SixSey for the values of x,y = 1–6. The vibrational frequencies are calculated for each model…”
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Negative-spin quasiparticles in quantum Hall effect by Shrivastava, Keshav N.

“…The spin of the electron is a positive number, s=1/2. It is found that there is a negative-spin quasiparticle with negative spin, s=−1/2. This means that in a…”
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Band structure and density of states in the normal state of FeSe, Fe2Se2, Fe2Se1 and Fe2SeTe superconductors by Lin, Teh Yee, Kassim, Hasan A., Shrivastava, Keshav N.

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The value of h/e2 from quantum Hall effect by Keshav N. Shrivastava

“…The quantum Hall effect and the emergence of the value of h/e2 is found to be understood within five steps. Here h is the Planck's constant and e is the charge…”
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Ab initio calculation of vibrational frequencies and Raman spectra of barium peroxide glass including comparison of tetrahedral BaO 4 with GeO 4 and SiO 4 by Rosli, Ahmad Nazrul, Zabidi, Noriza Ahmad, Kassim, Hasan Abu, Shrivastava, Keshav N.

“…[Display omitted] ► New ab initio calculation of BaO. The atomic number of Ba is 56. Hence, the calculation is quite long and time consuming. ► Identification…”
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