Elastic moduli and refractive index of ?-Ge3N4

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES(2023)

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摘要
Germanium nitride, having cubic spinel structure, ?-Ge3N4, is a wide band-gap semiconductor with a large exciton binding energy that exhibits high hardness, elastic moduli and elevated thermal stability up to approximately 700 degrees C. Experimental data on its bulk and shear moduli (B0 and G0, respectively) are strongly limited, inconsistent and, thus, require verification. Moreover, earlier first-principles density functional calculations provided significantly scattering B0 values but consistently predicted G0 much higher than the so far available experimental value. Here, we examined the elasticity of polycrystalline ?-Ge3N4, densified applying high pressures and temperatures, using the techniques of laser ultrasonics (LU) and Brillouin light scattering (BLS) and compared with our extended first-principles calculations. From the LU measurements, we obtained its longitudinal-and Rayleigh wave sound velocities and, taking into account the sample porosity, derived B0 = 322(44) GPa
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关键词
spinel nitrides, elastic moduli, optical properties, laser ultrasonics, Brillouin light scattering, first-principles calculations
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