Fig. 4: Calculation results based on first-principles density functional theory.
From: Metavalent alloying and vacancy engineering enable state-of-the-art cubic GeSe thermoelectrics
a–c Band structures and d–f corresponding partial density-of-states (PDOS) for the orthorhombic GeSe, cubic GeSe, and cubic (GeSe)0.9(Sb2Te3)0.1.
