The First-Principles Investigation of Structural Stability, Mechanical, Vibrational, Thermodynamic, and Optical Properties of CaHfS<sub>3</sub> for Optoelectronic Application

<div>The partial density of states of CaHfS<sub>3.</sub>with respect to GGA-PBE (a) and GGA + U (b).</div>

Advances in Condensed Matter Physics

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Figure 4

Figure 4: The First-Principles Investigation of Structural Stability, Mechanical, Vibrational, Thermodynamic, and Optical Properties of CaHfS<sub>3</sub> for Optoelectronic Application 

Figure 4 | The First-Principles Investigation of Structural Stability, Mechanical, Vibrational, Thermodynamic, and Optical Properties of CaHfS3 for Optoelectronic Application 