https://www.selleckchem.com/pr....oducts/TG100-115.htm
The structure, electronic, and magnetic properties have been investigated by the first-principles calculations for paramagnetic, ferromagnetic, and antiferromagnetic Cu3TeO6 under pressure from 0 to 100 GPa. The calculated lattice parameters at 0 GPa are in excellent agreement with the available calculated and experimental values. With increasing pressure, the lattice parameters and volume decrease, but Cu3TeO6 keeps a stable cubic structure. The electronic calculations show that paramagnetic and ferromagnetic Cu3TeO6 are metallic, an
Like
Comment
Share
