Insulator-metal transition in the doped 3d1 transition metal oxide LaTiO3 -: art. no. 195116

被引：36

作者：

Craco, L

Laad, MS

Leoni, S

Müller-Hartmann, E

机构：

[1] Univ Cologne, Inst Theoret Phys, D-50937 Cologne, Germany

[2] Max Planck Inst Chem Phys Stoffe, D-01187 Dresden, Germany

来源：

PHYSICAL REVIEW B | 2004年 / 70卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.70.195116

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The doping induced insulator-metal transition in La1-xSrxTiO3 is studied using the ab initio local density approximation (LDA) and DMFT method. Combining the LDA bandstructure for the actual, distorted structure found recently with multiorbital DMFT to treat electronic correlations, we find (i) ferro-orbital order in the Mott insulating state without orbital degeneracy, (ii) a continuous filling induced transition to the paramagnetic metal (PM) with x, and (iii) excellent quantitative agreement with published photoemission data for the case of 6% doping. Our results imply that this system can be described as a Mott-Hubbard system without orbital (liquid) degeneracy.

引用

页码：1 / 4

页数：4

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