"We appreciate that our article1 has sparked a discussion in the computational materials science community on the origin of the measured anisotropic mobility in Cu2O. In the accompanying Comment2, Fu and Singh present a theoretical analysis of Cu2O band structures to understand the anisotropic measured carrier mobility that we reported. In pristine bulk Cu2O, conductivity and mobility adhere to the cubic symmetry of the material, reflecting the absence of spontaneous symmetry breaking."
"In pristine bulk Cu2O, conductivity and mobility adhere to the cubic symmetry of the material, reflecting the absence of spontaneous symmetry breaking."
Measured anisotropic carrier mobility in Cu2O contrasts with the cubic-symmetry expectation for pristine bulk material. Pristine bulk Cu2O shows conductivity and mobility that adhere to cubic symmetry, indicating no spontaneous symmetry breaking in ideal crystals. The discrepancy between symmetry-imposed isotropy and measured anisotropy implies that factors beyond ideal bulk band structure—such as defects, surfaces, interfaces, orientation-specific growth, or measurement conditions—must influence transport. Theoretical analyses of band structure have been applied to probe possible origins of anisotropic mobility, but symmetry constraints in pristine bulk remain a central baseline for interpretation.
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