Defect-induced magnetism in two-dimensional NbSe 2
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DOI: 10.1016/j.spmi.2016.11.068
Abstract: Abstract The energetics and magnetism of perfect and vacancy-containing two-dimensional NbSe2 monolayers is investigated by first-principle calculations. It has been found the single Se vacancy has the lowest formation energy. Perfect NbSe2 monolayers, as well… read more here.
Keywords: defect induced; vacancy; induced magnetism; magnetism two ... See more keywords
Ab initio theory of magnetism in two-dimensional 1T−TaS2
Sign Up to like & getrecommendations! Published in 2022 at "Physical Review B"
DOI: 10.1103/physrevb.105.l081106
Abstract: We investigate, using a first-principles density-functional methodology, the nature of magnetism in monolayer 1T -phase of tantalum disulfide (1T -TaS2). Magnetism in the insulating phase of TaS2 is a longstanding puzzle and has led to… read more here.
Keywords: initio theory; magnetism two; magnetism; spin ... See more keywords