Research / 2022 / Article / Fig 4

Research Article

Electronic Orbital Alignment and Hierarchical Phonon Scattering Enabling High Thermoelectric Performance p-Type Mg3Sb2 Zintl Compounds

Figure 4

Calculated band structure of Mg3-yZnySb2: orbital gradually converges with orbitals until the two orbitals diverge at around with the increasing Zn content (the calculated band structures are built in a supercell).