A DFT Study on Structural, Electronic Mechanical and Thermodynamic Properties of 5f-Electron System BaAmO3
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DOI: 10.1007/s10948-017-4181-7
Abstract: The structural, electronic, mechanical and thermodynamic properties of the perovskite oxide BaAmO3 have been predicted using the full-potential linearized augmented plane wave (FP-LAPW) method. The equilibrium lattice constant, bulk modulus and pressure derivative were computed… read more here.
Keywords: thermodynamic properties; electronic mechanical; structural electronic; baamo3 ... See more keywords