First-principles calculation of the electronic structure, elastic and optical properties of LiSn2N3 nitrogen base stable perovskite semiconductor material
“…61 The computations are carried out after attaining energy and atom force convergence criteria of 0.001 eV Å −1 and 10 5 eV, respectively, for both lattice parameters and atom locations. 62…”
Copper selenide nanomaterials are recognized to possess thermoelectric characteristics, becoming a strong contender to unite materials science and energy technology with effective use in practical applications in extreme environments.
“…61 The computations are carried out after attaining energy and atom force convergence criteria of 0.001 eV Å −1 and 10 5 eV, respectively, for both lattice parameters and atom locations. 62…”
Copper selenide nanomaterials are recognized to possess thermoelectric characteristics, becoming a strong contender to unite materials science and energy technology with effective use in practical applications in extreme environments.
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