FULL-POTENTIAL BAND CALCULATIONS ON YTIO3 WITH A DISTORTED PEROVSKITE STRUCTURE

被引：20

作者：

FUJITANI, H ^{[1
]}

ASANO, S ^{[1
]}

机构：

[1] UNIV TOKYO, COLL ARTS & SCI, INST PHYS, MEGURO KU, TOKYO 153, JAPAN

来源：

PHYSICAL REVIEW B | 1995年 / 51卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.51.2098

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The energy band structure of YTiO3 was examined using the full-potential linear augmented-plane-wave method with the local-density approximation. Our calculations show that experimentally observed ferromagnetism and lattice distortion are necessary conditions for YTiO3 to have a band gap at the Fermi level, although the cubic perovskite structure of TYiO3 shows no signs of its being an insulator. © 1995 The American Physical Society.

引用

页码：2098 / 2102

页数：5

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