Electronic and crystal structure of fully strained LaNiO3 films -: art. no. 113408

被引：60

作者：

Dobin, AY ^{[1
]}

Nikolaev, KR

Krivorotov, IN

Wentzcovitch, RM

Dahlberg, ED

Goldman, AM

机构：

[1] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA

[2] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA

[3] Univ Minnesota, Supercomp Inst Digital Simulat & Adv Computat, Minneapolis, MN 55455 USA

来源：

PHYSICAL REVIEW B | 2003年 / 68卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.68.113408

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles band structure calculations have been used to investigate epitaxially strained LaNiO3 films. Experimentally, tensile biaxial strain has been realized in pseudomorphic LaNiO3 films grown on SrTiO3 (001) substrates using ozone-assisted molecular beam epitaxy. Measured and calculated out-of-plane lattice parameters are in excellent agreement. This demonstrates the viability of the computational method as well as the high quality of the films.

引用

页数：4

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