Multiferroic properties of melanothallite Cu2OCl2

Single crystal growth and structural, magnetic, and magnetoelectric properties in spin-frustrated bow-tie lattice of α-Cu5O2(SeO3)2Cl2

“…12,25 A lowdimensional crystal structure with anisotropic spin-induced multiferroicity was reported in the magnetic layers of a Cu 3 Bi(-SeO 3 ) 2 O 2 Cl 2 system. 26 In this context, compounds from the CuO-CuCl 2 -SeO 2 ternary phase diagram have been reported to exhibit exotic quantum magnetic states such as skyrmions, along with unique multiferroic properties, 8,24,[27][28][29][30][31][32][33][34][35][36][37][38] as shown in Table 1.…”

Spin-Induced Multiferroic Behavior in Centrosymmetric Mn3WO6

“…At low temperatures, the P value of ≈ 15 μC m –2 is of the same order of magnitude as in Mn 3 TeO 6 ( P = 3 μC m –2 ) but smaller than that in HP-Mn 3 WO 6 ( P = 150 μC m –2 ) . However, a distinctly larger value could be expected for single-crystal measurements made along appropriate directions. , …”

Influence of the Chemical Pressure on the Magnetic Properties of the Mixed Anion Cuprates Cu2OX2 (X = Cl, Br, I)

“…The calculated magnetic moment of copper is 0.6-0.7 µ B in Cu 2 OX 2 , which is in good agreement with the available experimental data for Cu 2 OCl 2 . Indeed, the ordered magnetic moment was found to be 0.64(5) µ B and 0.66(2) µ B from powder and single-crystal neutron refinements, respectively [13].…”

“…In 2019, two contradictory neutron-scattering investigations were published. In the first investigation [13], the spin-driven nature of the multiferroicity of Cu 2 OCl 2 was demonstrated, leading to the proposition of a cycloidal non-collinear magnetic order with competing magnetic exchange couplings and driven by an inverse Dzyaloshinskii-Moriya mechanism. In the second article [14], the authors claimed the simultaneous existence, at low temperature, of a collinear antiferromagnetic order and an antiferroelectric phase resulting from a Cl→O charge transfer.…”

“…In terms of J magnetic exchange values, only one experimental estimation from magnetic susceptibilty [8] has been proposed, one conference's abstract gave contradicting values deduced from Density Functional Theory (DFT) calculations [15] without providing any details, and one last article [13] focused on the sign of J couplings by studying Wannier functions with DFT. The present study aims to clarify the understanding of the magnetic interactions in Cu 2 OCl 2 by doing DFT calculations at ambient pressure but also under chemical pressure, by predicting the magnetic properties of Cu 2 OBr 2 and Cu 2 OI 2 , for the very first time.…”