2020
DOI: 10.1016/j.physe.2019.113745
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Electronic and magnetic properties of 3d transition metal doped MoSe2 monolayer

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Cited by 34 publications
(17 citation statements)
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“…Actually, the magnetic moments in induced magnetic materials are not isolated from each other to form a long-range coupling effect. Especially, there are changes in charge, defects, and spin states with dopants in the host material. The bound magnetic polaron (BMP) mechanism may be expected to explain the observed ferromagnetism after transition-metal doping in MoSe 2 considering the low dopant content and low carrier concentration in our samples. We infer some more distant Fe dopants are located within the polaron radius to interact with defects besides the Fe spin polarization. It is worth noting that the origin of the observed ferromagnetism in the doped TMD systems has been controversial to date.…”
Section: Resultsmentioning
confidence: 92%
“…Actually, the magnetic moments in induced magnetic materials are not isolated from each other to form a long-range coupling effect. Especially, there are changes in charge, defects, and spin states with dopants in the host material. The bound magnetic polaron (BMP) mechanism may be expected to explain the observed ferromagnetism after transition-metal doping in MoSe 2 considering the low dopant content and low carrier concentration in our samples. We infer some more distant Fe dopants are located within the polaron radius to interact with defects besides the Fe spin polarization. It is worth noting that the origin of the observed ferromagnetism in the doped TMD systems has been controversial to date.…”
Section: Resultsmentioning
confidence: 92%
“…As it was predictable, the screened hybrid functional, HSE06, modified the band gap amount of the monolayer but it increases the cost of calculations. In many 2D materials studies, such as TM-doped in MoSe 2 33 , HfS 2 26 , 34 and ZrS 2 20 monolayers, DFT calculations with GGA functional had been used and acceptable results had obtained, so we have reported the results calculated by GGA method for TM-doped monolayers. The spin–orbit coupling (SOC) has a considerable effect on the electronic structures such as band gap in semiconductor TMDs monolayers 35 , 36 .…”
Section: Resultsmentioning
confidence: 99%
“…Other 2H-TMDs monolayer, including VS 2 [12,14], VTe 2 [12,15], MX 2 (M = Nb, Ta; X = Se, Te) [15], and MCl 2 (M = Fe, Co, and Ni) [16], also exhibit intrinsic FM order. On the contrary, pristine and undoped 2H-MX 2 (M = Mo, W; X = S, Se) [17][18][19][20] monolayers are nonmagnetic materials due to their utterly symmetric density of states for the spin-up and spin-down channels, limiting their potential applications in spintronics. Although the VSe 2 monolayer also has 1T phase (octahedral coordination), it is metallic and has higher formation energy than 2H phase (trigonal prismatic coordination) [21,22], which is not explored in this work.…”
Section: Graphical Abstract Introductionmentioning
confidence: 99%