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2015
DOI: 10.1016/j.physe.2015.04.029
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Electronic structures and magnetic properties in Cu-doped two-dimensional dichalcogenides

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Cited by 35 publications
(16 citation statements)
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“…The strong hybridisation of the 3 d orbitals of Cu with the p orbitals of S atoms enabled spin splitting near the Fermi level and the consequent development of magnetic properties. On the contrary, in the case of MoTe 2 and WS 2 monolayers, Cu doping was not predicted to yield a magnetic material . Ferromagnetism could be obtained in calculations for Cu‐doped WS 2 bi‐layers, however, with a total magnetic moment of about 1 µ B , significantly lower than that in the case of MoS 2 …”
Section: Transition Metal Dichalcogenides (Tmds)mentioning
confidence: 89%
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“…The strong hybridisation of the 3 d orbitals of Cu with the p orbitals of S atoms enabled spin splitting near the Fermi level and the consequent development of magnetic properties. On the contrary, in the case of MoTe 2 and WS 2 monolayers, Cu doping was not predicted to yield a magnetic material . Ferromagnetism could be obtained in calculations for Cu‐doped WS 2 bi‐layers, however, with a total magnetic moment of about 1 µ B , significantly lower than that in the case of MoS 2 …”
Section: Transition Metal Dichalcogenides (Tmds)mentioning
confidence: 89%
“…Copper doping of various TMDs has also been computationally studied recently. For MoS 2 and MoSe 2 even a single Cu dopant atom gave a surprisingly high total magnetic moment of about 5 µ B , higher than any of the other first‐row transition metals . The strong hybridisation of the 3 d orbitals of Cu with the p orbitals of S atoms enabled spin splitting near the Fermi level and the consequent development of magnetic properties.…”
Section: Transition Metal Dichalcogenides (Tmds)mentioning
confidence: 99%
“…To date, high level (> 10%) Cu and Co doping was achieved for WS2 by CVT [75] and for MoS2 by CVD, respectively [76]. DFT calculations show that Cu impurity states span over a range of ~ 1 eV in the band gap of WS2 [77]. For Co-doped MoS2, the impurity states also span over a similarly wide range, but their average energy is closer to the CBM.…”
Section: N-type Dopingmentioning
confidence: 99%
“…However, there are very limited, and mostly theoretical studies on intrinsic magnetism based on monolayer structure calculation 17 20 . Theoretical and experimental work shows that in the absence of crystalline imperfections, the Mo-based TMDs are nonmagnetic 21 23 . Therefore, by adding defects one may induce magnetism into these materials and this ability can open up a host of new opportunities for spintronic applications.…”
Section: Introductionmentioning
confidence: 99%