First-principles studies of hydrogen interaction with ultrathin Mg and Mg-based alloy films
نویسندگان
چکیده
منابع مشابه
Quantum-size effects in ultrathin Mg films
Recent experiments on the oxidation of ultrathin Mg films have revealed the existence of a correlation between surface reactivity and quantum-size effects. Using ab initio density-functional calculations, we have investigated the electronic properties of epitaxial Mg 0001 films, 5–17 atomic-layer thick, on a W 110 substrate to clarify the origin of this correlation. We find that the decay lengt...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2011
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.83.045413