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Figure 1

From: Effects of 3d transition metal impurities and vacancy defects on electronic and magnetic properties of pentagonal Pd2S4: competition between exchange splitting and crystal fields

Figure 1The alternative text for this image may have been generated using AI.

Band structure and density of states for 3p orbitals of S atom and 4d orbitals of Pd atom in Pd2S4 structure: (a–e) without vacancy defect, (f–j) arising from defects in S atoms, (k–o) arising from defects in Pd atoms, (p) top view of Pd2S4 structure with the position of vacancy defect for S (No. 1) and Pd (No. 2) atoms, (q) side view of Pd2S4 structure, and (r) electrons located in 4d orbitals of Pd+4  cation in strong and weak crystal fields.

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