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We studied the structural, elastic, electronic and optical properties of the orthorhombic NaMgH3, NaMgH2F, NaMgHF2 and NaMgF3 compounds. By means of the self-consistent CASTEP code, pseudopotentials, density functional theory in the LDA and GGA approximations, basic physical properties, such as lattice constant, shear modulus, elastic constants (Cij) and optical constants are computed. This study...
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