Sr2VO4 and Ba2VO4 under pressure:: An orbital switch and potential d1 superconductor
Sr2VO4 and Ba2VO4 under pressure:: An orbital switch and potential d1 superconductor
复制标题
DOI：
10.1103/physrevb.75.174521
复制
发表时间：
2007-05-01
影响因子：
3.7
通讯作者：
Kuroki, K.
中科院分区：
文献类型：
--
作者：
Arita, R.;Yamasaki, A.;Kuroki, K.
本文采用局域密度近似+动力学平均场方法研究了高压下Sr_2VO_4和Ba_2VO_4的晶体结构。而Sr 2 VO 4是一个1/6填充的三带系统在环境压力下与d（xy）和d（yz/zx）带之间的小能级分裂，我们发现，轨道极化发生在单轴压力下，这将导致显着的变化的磁性和输运性质。当在c方向施加压力时，实现了d（9）铜酸盐的d（1）类似物，使得Sr 2 VO 4成为d（1）超导体的可能候选者。我们还研究了Ba替代Sr的化学压强效应，发现在晶格常数为4.1-4.2埃的衬底上生长Ba_2VO_4更容易实现d（1）型铜酸盐的类似物。
We study Sr2VO4 and Ba2VO4 under high pressure by means of the local-density approximation+dynamical mean-field theory method. While Sr2VO4 is a 1/6-filling three-band system at ambient pressure with a small level splitting between the d(xy) and d(yz/zx) bands, we show that an orbital polarization occurs under uniaxial pressure, which will lead to dramatic changes of the magnetic and transport properties. When pressure is applied in the c direction, a d(1) analog of d(9) cuprates is realized, making Sr2VO4 a possible candidate for a d(1) superconductor. We also study the effect of chemical pressure by substituting Sr by Ba, and find that a d(1) analog of cuprates can be realized more easily by growing Ba2VO4 on a substrate with lattice constant of 4.1-4.2 angstrom.