File Name : figure1-supplementary-material.tif

Caption : electronic and energetic properties of the intermediate stability structures found in some systems with the gap nanotube interacting with fecl3 and cro3, in which (a) were obtained in the initial conguration i for fecl3, (b) in the initial conguration ii for fecl3, (c) in the initial conguration viii for fecl3, (d) in the initial conguration i for cro3, (e) in the initial conguration ii for cro3 and (f) in the initial conguration viii for cro3. the illustration of each structure is represented at the bottom, where the light orange, light pink, dark orange, green, gray and red balls represent the atoms ga, p, fe, cl, cr and o, respectively. and at the top, the band structure of each system is plotted containing the adsorption energy, band gap, magnetic moment and charge transfer (from nanotube to the compound) of each structure. the fermi level is represented by the horizontal dotted red line. the adsorption energies shown are with the bsse correction.