Cubic NaK2Sb and hexagonal Na2KSb, two predicted polymorphs, are computed to be indirect-gap semiconductors with near-infrared absorption and weak excitonic effects, favorable for photocathode applications.
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Electronic and optical properties of computationally predicted Na-K-Sb crystals
Cubic NaK2Sb and hexagonal Na2KSb, two predicted polymorphs, are computed to be indirect-gap semiconductors with near-infrared absorption and weak excitonic effects, favorable for photocathode applications.