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Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.03.182
Abstract: Abstract We have employed density functional theory calculations for determining intrinsic defect processes and structural, elastic, and electronic properties of recently synthesized Sn-containing 312 MAX phases M3SnC2 (M = Ti, Zr, Hf) including Debye temperature, Mulliken populations, theoretical…
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Keywords:
defect processes;
max phases;
physical properties;
max ... See more keywords