Koethe T C, Hu Z, Haverkort M W, Schüssler-Langeheine C, Venturini F, Brookes N B, Tjernberg O, Reichelt W, Hsieh H H, Lin H-J, Chen C T, Tjeng L H
II. Physikalisches Institut, Universität zu Köln, Zülpicher Strasse 77, D-50937 Köln, Germany.
Phys Rev Lett. 2006 Sep 15;97(11):116402. doi: 10.1103/PhysRevLett.97.116402. Epub 2006 Sep 13.
We present a detailed study of the valence and conduction bands of VO2 across the metal-insulator transition using bulk-sensitive photoelectron and O K x-ray absorption spectroscopies. We observe a giant transfer of spectral weight with distinct features that require an explanation which goes beyond the Peierls transition model as well as the standard single-band Hubbard model. Analysis of the symmetry and energies of the bands reveals the decisive role of the V 3d orbital degrees of freedom. Comparison to recent realistic many body calculations shows that much of the k dependence of the self-energy correction can be cast within a dimer model.
我们利用体灵敏光电子能谱和O K X射线吸收光谱,对VO₂在金属-绝缘体转变过程中的价带和导带进行了详细研究。我们观察到光谱权重的巨大转移,其具有独特特征,这需要一种超出皮尔斯跃迁模型以及标准单带哈伯德模型的解释。对能带的对称性和能量进行分析,揭示了V 3d轨道自由度的决定性作用。与近期的实际多体计算结果进行比较表明,自能修正的许多k依赖性可以用二聚体模型来描述。