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Structural, mechanical properties, and vibrational spectra of LLM-105 under high pressures from a first-principles study
He Hou Zong,
Lei Zhang
*
, Wei bin Zhang, Sheng Li Jiang, Yi Yu, Jun Chen
*
此作品的通讯作者
China Academy of Engineering Physics
IAPCM
科研成果
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25
引用 (Scopus)
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Material Science
Compressibility
100%
Density
100%
Elastic Constant
100%
Lattice Constant
100%
Mechanical Structure
100%
Molecular Crystal
100%
Oxide Compound
100%
Chemistry
Compressibility
33%
Density Functional Theory
33%
Energetics
33%
Equation of State
66%
First Principle
100%
Intermolecular Force
33%
Lattice Parameter
33%
Molecular Crystal
33%
Structure
100%
Velocity of Sound
33%
Vibrational Spectrum
100%
Physics
Acoustic Velocity
33%
Compressibility
33%
Density Functional Theory
33%
Elasticity
33%
Energetics
33%
Equations of State
66%
First-Principles
100%
Lattice Parameter
33%
Vibrational Spectra
100%