First principles calculations of structural, electronic, mechanical and thermoelectric properties of cubic ATiO3 (A= Be, Mg, Ca, Sr and Ba) perovskite oxide
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DOI: 10.1016/j.cocom.2021.e00562
Abstract: Abstract First principle calculation was performed to investigate material properties such as structural, electronic, mechanical and thermoelectric of ATiO3 (Be, Mg, Ca, Sr or Ba) a perovskite based oxide within density functional theory. Calculations were… read more here.
Keywords: mechanical thermoelectric; electronic mechanical; structural electronic; atio3 perovskite ... See more keywords