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Metal nanocages exhibit localized surface plasmon resonance that strongly absorbs and scatters light at specific wavelengths, making them potentially valuable for photothermal therapy and biological imaging applications. However, investigations on metal nanocages are still confined to high-cost and small-scale synthesis. The comprehensive analysis of optical properties and optimal size parameters of metal nanocages is rarely reported. This paper simulates the effects of materials (Ag, Au, and Cu), size parameters, refractive index of the surrounding medium, and orientation on the light absorption and scattering characteristics of the nanocages using the finite-element method and the size-dependent refractive-index model for metal nanoparticles. The results show that the Ag nanocages have excellent light absorption and scattering characteristics and respond significantly to the size parameters, while the refractive index and orientation of the surrounding medium have less effect on them. The Au nanocages also possess superior light absorption properties at specific incident wavelengths. This study also identified the optimized sizes of three metal nanocages at incident light wavelengths commonly used in biomedicine; it was also found that, under deep therapy conditions, Ag nanocages in particular exhibit the highest volume absorption and scattering coefficients of 0.708 nm−1 and 0.583 nm−1, respectively. These findings offer theoretical insights into preparing target nanocage particles for applications in photothermal therapy and biological imaging. [ABSTRACT FROM AUTHOR]