Orbital order in La0.5Sr1.5MnO4: Beyond a common local Jahn-Teller picture

作者：Wu, Hua^*; Chang, C. F.; Schumann, O.; Hu, Z.; Cezar, J. C.; Burnus, T.; Hollmann, N.; Brookes, N. B.; Tanaka, A.; Braden, M.; Tjeng, L. H.; Khomskii, D. I.

来源：Physical Review B, 2011, 84(15): 155126.

DOI：10.1103/PhysRevB.84.155126

• TRANSITION-METAL OXIDES
• CHARGE
• LA1-XSR1+XMNO4
• PHOTOEMISSION
• MANGANITES
• SPIN

The standard way to find the orbital occupation of Jahn-Teller (JT) ions is to use structural data, with the assumption of a one-to-one correspondence between the orbital occupation and the associated JT distortion, e. g., in O-6 octahedron. We show, however, that this approach can be incorrect, e. g., for layered systems. Using the layered manganite La0.5Sr1.5MnO4 as an example, we found from our x-ray-absorption measurements and electronic structure calculations that the type of orbital ordering strongly contradicts the standard local distortion approach for the Mn3+O6 octahedra, and that the usually ignored long-range crystal-field effect and anisotropic hopping integrals are actually crucial for determining the orbital occupation.

• 出版日期2011-10-17
• 单位复旦大学