Sr2VO4 and Ba2VO4 under pressure: An orbital switch and potential d1 superconductor

R. Arita; A. Yamasaki; K. Held; J. Matsuno; K. Kuroki

doi:10.1103/PhysRevB.75.174521

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Sr2VO4 and Ba2VO4 under pressure: An orbital switch and potential d1 superconductor

R. Arita, A. Yamasaki, K. Held, J. Matsuno, K. Kuroki

DOI 10.1103/PhysRevB.75.174521 · Physical Review B

T1

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Abstract

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 dxy and dyz∕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 d1 analog of d9 cuprates is realized, making Sr2VO4 a possible candidate for a d1 superconductor. We also study the effect of chemical pressure by substituting Sr by Ba, and find that a d1 analog of cuprates can be realized more easily by growing Ba2VO4 on a substrate with lattice constant of 4.1–4.2Å.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
Sr2VO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
Ba2VO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown