Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates
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DOI: 10.1016/j.ceramint.2021.02.058
Abstract: Abstract In this work, the composition-dependent point defect types and formation energies of RE2Hf2O7 (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles… read more here.
Keywords: investigation intrinsic; intrinsic point; pyrochlore hafnates; theoretical investigation ... See more keywords
First-principles investigation of the intrinsic defect-related properties in Mo2GeC
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DOI: 10.1063/1.5125190
Abstract: As one of the MAX phases, Mo2GeC can also be considered as a potential material for use in next generation fission and fusion program reactors. We used first-principles calculations to investigate the formation energies, stable… read more here.
Keywords: investigation intrinsic; mono vacancy; vacancy; first principles ... See more keywords
Investigation of the Intrinsic Defects of LiTaO3 Crystals by NMR Spectroscopy
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DOI: 10.1134/s1063774519010310
Abstract: The nuclear magnetic resonance (NMR) of 7Li and 6Li nuclei in a LiTaO3 single crystal sample of congruent composition has been experimentally investigated. It is found that there are weak side lines in the NMR… read more here.
Keywords: investigation intrinsic; intrinsic defects; spectroscopy; text text ... See more keywords