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Evidence of coexistence of Co3+ with Co2+ in ceramic Co3TeO6 through XANES, DC magnetization and first principal studies is provided. XANES along with linear combination fit provide relative concentrations of Co2+ and Co3+.Temperature dependent DC magnetization exhibits the same antiferromagnetic behavior as observed in single crystal. The presence of both Co2+ and Co3+ suggests that if the later is in high spin state, the effective magnetic moment is similar to that observed in single crystal studies. In contrast, if Co3+ is in low spin state effective magnetic moment is similar to that observed in Co3O4. It is further shown that both Co2+ and Co3+ in high spin states constitute a favorable ground state through first principle calculations where Rietveld refined Synchrotron X-ray diffraction data are inputs.
We report observation of magneto-electric and magneto-dielectric couplings in ceramic Co3TeO6. Temperature dependent DC magnetization and dielectric constant measurements together indicate coupling between magnetic order and electronic polarization.
The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and then it was successfully fabricated by hot pressing sintering techniqu
A two step solid state reaction route has been presented to synthesize monophasic cobalt tellurate (Co3TeO6, CTO) using Co3O4 and TeO2 as starting reagents. During synthesis, initial ingredient Co3O4 is found better than CoO in circumventing the inte
The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is responsib
The characteristics of intrinsic defects are important for the understanding of self-diffusion processes, mechanical strength, brittleness, and plasticity of tungsten carbide, which present in the divertor of fusion reactors. Here, we use first-princ