Coulomb correlations and orbital polarization in the metal-insulator transition Of VO2 -: art. no. 085109
Coulomb correlations and orbital polarization in the metal-insulator transition Of VO2 -: art. no. 085109
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DOI：
10.1103/physrevb.71.085109
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发表时间：
2005-02-01
影响因子：
3.7
通讯作者：
Bihlmayer, G
中科院分区：
文献类型：
--
作者：
Liebsch, A;Ishida, H;Bihlmayer, G
在金属金红石相和绝缘单斜相的VO 2的准粒子谱示出的局部库仑相互作用占主导地位。在金红石相中，V3 dt（2g）态之间的小轨道极化导致弱的静态但强的动力学关联。在单斜相，由V-V Peierls畸变引起的大的3d轨道极化引起强的静态关联，这是绝缘行为的主要原因。
The quasiparticle spectra in the metallic rutile and insulating monoclinic phases Of VO2 are shown to be dominated by local Coulomb interactions. In the rutile phase the small orbital polarization among V 3d t(2g) states leads to weak static but strong dynamical correlations. In the monoclinic phase the large 3d orbital polarization caused by the V-V Peierls distortion gives rise to strong static correlations which are shown to be the primary cause of the insulating behavior.