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• W2922142056 endingPage "497" @default.
• W2922142056 startingPage "484" @default.
• W2922142056 abstract "The main purpose of the present article is an investigation of electronic and magnetic properties of g-SiC2, decorated by 3d transition metals (TM), for two different concentrations of V, Mn, Co or Ni atoms. To pursue this aim, we employ the spin-polarized density functional theory (DFT), in which the spin degree of freedom is explicitly taken into account. The results of our first-principle calculations demonstrate the stable geometrical configurations, the corresponding geometrical parameters and the adsorption and diffusion energies of each combination. The adsorption of TM onto g-SiC2 is then shown to be of chemisorption type, causing, among others, an out-of-plane corrugation. We proceed by calculating the charge transfer (total and spin-distinct) and charge redistributions, under the effect of adsorption, for the aforementioned combinations. Our results indicate that in all of the considered combinations, the adsorbate TM atoms lose electrons to the g-SiC2 sheet. We, moreover, calculate the spin-distinct electronic band structures (SDEBS), as well as densities of states (SDDOS) from which we conclude that for a low (large) concentration of TM adatoms, the combination is a ferromagnetic half-metal (FMHM) for V (for both concentration), it is a FMHM (ferromagnetic metal (FMM)) for Mn. A more important result of our calculated SDEBS and SDDOS is that when Co is adsorbed onto g-SiC2 the combination behaves as a ferromagnetic bipolar material at low concentration of the adsorbate, while for larger concentrations it becomes an antiferromagnetic semiconductor. In contrast, we show that the combination of Ni plus g-SiC2 is of nonmagnetic semiconductor nature, for both concentrations. Our calculations then demonstrate a novel path to design materials with adjustable magnetic properties, ranging from half-metallicity, bipolarity to nonmagnetic, with potential use in spintronic applications." @default.
• W2922142056 created "2019-03-22" @default.
• W2922142056 creator A5017476371 @default.
• W2922142056 creator A5055603950 @default.
• W2922142056 creator A5087105977 @default.
• W2922142056 date "2019-07-01" @default.
• W2922142056 modified "2023-10-10" @default.
• W2922142056 title "Novel half-metallic and bipolar materials formed by decoration of g-SiC2 with selected 3d transition metals" @default.
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• W2922142056 cites W1976754779 @default.
• W2922142056 cites W1981368803 @default.
• W2922142056 cites W1994725957 @default.
• W2922142056 cites W2025173691 @default.
• W2922142056 cites W2030976617 @default.
• W2922142056 cites W2050315976 @default.
• W2922142056 cites W2053802818 @default.
• W2922142056 cites W2054618965 @default.
• W2922142056 cites W2063394821 @default.
• W2922142056 cites W2091163079 @default.
• W2922142056 cites W2092763626 @default.
• W2922142056 cites W2108679281 @default.
• W2922142056 cites W2120145199 @default.
• W2922142056 cites W2155047849 @default.
• W2922142056 cites W2199000534 @default.
• W2922142056 cites W2230728100 @default.
• W2922142056 cites W2281293872 @default.
• W2922142056 cites W2293038431 @default.
• W2922142056 cites W2301312517 @default.
• W2922142056 cites W2321257290 @default.
• W2922142056 cites W2329578417 @default.
• W2922142056 cites W2332787068 @default.
• W2922142056 cites W2333970992 @default.
• W2922142056 cites W2340848590 @default.
• W2922142056 cites W2344008599 @default.
• W2922142056 cites W2404575195 @default.
• W2922142056 cites W2529927467 @default.
• W2922142056 cites W2552450312 @default.
• W2922142056 cites W2563324394 @default.
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• W2922142056 cites W2594936672 @default.
• W2922142056 cites W2602102786 @default.
• W2922142056 cites W2604424231 @default.
• W2922142056 cites W2604671220 @default.
• W2922142056 cites W2608889840 @default.
• W2922142056 cites W2624470047 @default.
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• W2922142056 cites W2765454612 @default.
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• W2922142056 cites W2776752369 @default.
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• W2922142056 cites W2787883970 @default.
• W2922142056 cites W2788539543 @default.
• W2922142056 cites W2790540598 @default.
• W2922142056 cites W2791207355 @default.
• W2922142056 cites W2791738525 @default.
• W2922142056 cites W2792132351 @default.
• W2922142056 cites W2793273553 @default.
• W2922142056 cites W2794227835 @default.
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• W2922142056 doi "https://doi.org/10.1016/j.apsusc.2019.03.146" @default.
• W2922142056 hasPublicationYear "2019" @default.
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