Electronic and magnetic properties of Cu2MgV2O8 and CuMg2V2O8 – ab initio study

Electronic, magnetic, optical properties, and morphological characteristics of nanocrystalline based on zinc–cobalt molybdate prepared by soft chemistry route

“…Theoretical simulations are carried out using density functional theory (DFT) [61,62] and solving Kohn-Sham equations using the full potential linearized augmented plane wave (FP-LAPW) [63]. The exchange and correlation energy were calculated using the GGA-PBE approximation [64].…”

Purple nanometrics pigments based on cobalt-doped manganese molybdate: Synthesis, characterization, structural, thermal, optical, colorimetric and chemical properties

“…Indeed, studies on tungsten-doped copper molybdate CuMo 1-x W x O 4 have shown that the tungsten content can control the temperature or pressure of the α γ phase transition in this molybdate. As these two polymorphic varieties are of different colors (green and ocher, respectively), considering the use of this material as an indicator of temperature or pressure is thus possible [6][7][8][9]. Recently, the work carried out in our laboratory by H. Lakhlifi et al [10][11][12] showed that the partial substitution of cation A in the matrix of A 1-x Co x MoO 4 (A=Zn and Mg) by the chromophoric element cobalt allows the synthesis of new colored materials.…”