Vibrational dynamics of amorphous beryllium hydride and lithium beryllium hydrides

Sujatha Sampath; Alexander I. Kolesnikov; Kristina M. Lantzky; Jeffery Yarger

doi:10.1063/1.2842079

Vibrational dynamics of amorphous beryllium hydride and lithium beryllium hydrides

Sujatha Sampath, Alexander I. Kolesnikov, Kristina M. Lantzky, Jeffery Yarger

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

The vibrational density of states of amorphous beryllium hydride (a-Be H2) and lithium beryllium hydrides have been studied using inelastic neutron scattering, infrared, and Raman spectroscopies. The positions of the symmetrical (120-180 meV) and antisymmetrical (200-260 meV) Be-H stretching modes and those of the H-Be-H bending mode (50-120 meV) have been determined and the results discussed and compared with recent theoretical calculations. With the addition of lithium to the beryllium hydride network, the vibrational bands are shifted to lower energies, indicating a less rigid network.

Original language	English (US)
Article number	134512
Journal	Journal of Chemical Physics
Volume	128
Issue number	13
DOIs	https://doi.org/10.1063/1.2842079
State	Published - 2008

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2842079

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title = "Vibrational dynamics of amorphous beryllium hydride and lithium beryllium hydrides",

abstract = "The vibrational density of states of amorphous beryllium hydride (a-Be H2) and lithium beryllium hydrides have been studied using inelastic neutron scattering, infrared, and Raman spectroscopies. The positions of the symmetrical (120-180 meV) and antisymmetrical (200-260 meV) Be-H stretching modes and those of the H-Be-H bending mode (50-120 meV) have been determined and the results discussed and compared with recent theoretical calculations. With the addition of lithium to the beryllium hydride network, the vibrational bands are shifted to lower energies, indicating a less rigid network.",

author = "Sujatha Sampath and Kolesnikov, {Alexander I.} and Lantzky, {Kristina M.} and Jeffery Yarger",

note = "Funding Information: This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, (DE-AC02-06CH11357), the National Science Foundation (CHE-0612553), and the Carnegie DOE Alliance Center (CDAC) supported by the Department of Energy National Nuclear Security Administration and Arizona State University. The work at Argonne National Laboratory was supported by the Office of Basic Energy Sciences, Division of Materials Sciences, U.S. Department of Energy under Contract No. DE-AC02-06CH11357.",

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T1 - Vibrational dynamics of amorphous beryllium hydride and lithium beryllium hydrides

AU - Sampath, Sujatha

AU - Kolesnikov, Alexander I.

AU - Lantzky, Kristina M.

AU - Yarger, Jeffery

N1 - Funding Information: This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, (DE-AC02-06CH11357), the National Science Foundation (CHE-0612553), and the Carnegie DOE Alliance Center (CDAC) supported by the Department of Energy National Nuclear Security Administration and Arizona State University. The work at Argonne National Laboratory was supported by the Office of Basic Energy Sciences, Division of Materials Sciences, U.S. Department of Energy under Contract No. DE-AC02-06CH11357.

PY - 2008

Y1 - 2008

N2 - The vibrational density of states of amorphous beryllium hydride (a-Be H2) and lithium beryllium hydrides have been studied using inelastic neutron scattering, infrared, and Raman spectroscopies. The positions of the symmetrical (120-180 meV) and antisymmetrical (200-260 meV) Be-H stretching modes and those of the H-Be-H bending mode (50-120 meV) have been determined and the results discussed and compared with recent theoretical calculations. With the addition of lithium to the beryllium hydride network, the vibrational bands are shifted to lower energies, indicating a less rigid network.

AB - The vibrational density of states of amorphous beryllium hydride (a-Be H2) and lithium beryllium hydrides have been studied using inelastic neutron scattering, infrared, and Raman spectroscopies. The positions of the symmetrical (120-180 meV) and antisymmetrical (200-260 meV) Be-H stretching modes and those of the H-Be-H bending mode (50-120 meV) have been determined and the results discussed and compared with recent theoretical calculations. With the addition of lithium to the beryllium hydride network, the vibrational bands are shifted to lower energies, indicating a less rigid network.

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Vibrational dynamics of amorphous beryllium hydride and lithium beryllium hydrides

Abstract

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