Fig. 4: Polaron formation in LiTi2O4.
From: Unconventional polaronic ground state in superconducting LiTi2O4
a, b DFT calculated A1g and Eg oxygen phonon modes in LiTi2O4. c An ideal TiO6 octahedra (left) with a highly degenerate d1 state in a cubic crystal field. In MgTi2O4, a local trigonal distortion driven by Eg and A1g phonons is required to achieve a dimerized ground state (middle). Dynamic symmetry-reducing local lattice fluctuations associated with electron hopping leading to polaron formation in LiTi2O4 (right).
