A comparative study of the structural, vibrational, electronic and thermoelastic properties of α−SiO2 and α−Si(NH)2 from first principles

Masoumi, Narges; Wolf, George H.; Chizmeshya, Andrew

doi:10.1016/j.matchemphys.2021.125564

Materials Chemistry and Physics

2022

DOI: 10.1016/j.matchemphys.2021.125564

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A comparative study of the structural, vibrational, electronic and thermoelastic properties of α−SiO2 and α−Si(NH)2 from first principles

Narges Masoumi

George H. Wolf

Andrew Chizmeshya

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2024

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Implementation of one-phonon correction method to calculate inelastic scattering law data in nuclear data processing code NECP-Atlas

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et al. 2024

Progress in Nuclear Energy

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Implementation of one-phonon correction method to calculate inelastic scattering law data in nuclear data processing code NECP-Atlas

Zu,

Wu,

Feng

et al. 2024

Progress in Nuclear Energy

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A comparative study of the structural, vibrational, electronic and thermoelastic properties of α−SiO2 and α−Si(NH)2 from first principles

Cited by 1 publication

References 42 publications

Implementation of one-phonon correction method to calculate inelastic scattering law data in nuclear data processing code NECP-Atlas

Implementation of one-phonon correction method to calculate inelastic scattering law data in nuclear data processing code NECP-Atlas

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