Charge ordering and ferrimagnetism in the strongly correlated $\beta$-V${}_2$PO${}_5$ single crystal

Abstract

A combined study of transport, thermodynamic, neutron diffraction, nuclear magnetic resonance measurements and first principles calculation were performed for $\beta$-V${}_2$PO${}_5$ single crystal. It was shown to be a semiconductor with a band gap of 0.48 eV, undergoing a charge ordering (unusual V${}^{2+}$ and V${}^{3+}$) phase transition accompanied by a tetragonal to monoclinic structural distortion at 610 K and a paramagnetic to ferrimagnetic phase transition at 128 K with a propagation vector of $\text{k}=0$. The easy axis is in the monoclinic $ac$ plane pointing 47(9)${}^{\circ }$ away from the monoclinic $a$ axis. This collinear ferrimagnetic structure and anisotropic isothermal magnetization measurements suggest weak magnetic anisotropy in this compound. The first principles calculations indicate that the intra-chain interactions in the face-sharing VO${}_6$ chains dominate the magnetic hamiltonian and identify the ${\Gamma }_5^{+}$ normal mode of the lattice vibration to be responsible for the charge ordering and thus the structural phase transition.

References in corpus (10)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Magnetic Excitations in the S=1/2 Alternating Chain Compound (VO)_2P_2O_7
• Magnetic properties of BaCdVO(PO_4)_2: a strongly frustrated spin-1/2 square lattice close to the quantum critical regime
• Magnetocaloric effect and critical behavior near the paramagnetic to ferrimagnetic phase transition temperature in TbCo2-xFex
• Topological Weyl and Node-Line Semimetals in Ferromagnetic Vanadium-Phosphorous-Oxide $\beta$-V${}_2$OPO${}_4$ Compound
• Coexistence of double alternating antiferromagnetic chains in (VO)_2P_2O_7 : NMR study
• Frustrated square lattice with spatial anisotropy: crystal structure and magnetic properties of PbZnVO(PO4)2
• Spin Diffusion in the S=1/2 Quasi One-Dimensional Antiferromagnet α-VO(PO_3)_2 via 31P NMR
• V 3$d$ charge and orbital states in V${}_2$OPO${}_4$ probed by x-ray absorption spectroscopy

Cited by in corpus (2)

• Strain-induced valley polarization, topological states, and piezomagnetism in two-dimensional altermagnetic V${}_2$Te${}_2$O, V${}_2$STeO, V${}_2$SSeO, and V${}_2$S${}_2$O
• Spin and pair density waves in 2D altermagnetic metals