Investigation of ferromagnetic semiconducting and opto-electronic properties of Zn1−xMnxS (0 ≤ x ≤ 1) alloys: A DFT-mBJ approach

Size and shape effects on the band gap of semiconductor compound nanomaterials

“…Our prediction may be of the current interest to the researches engaged in the experimental research. Since cohesive energy decreases by Equation (3) with the decreasing of particle size of nanofilms, which leads to increase the band gap energy launched by Equation (11). The size dependence of band gap energy of CdTe nanosphere using Equation (9) is shown in Figure 4.…”

“…Equations (9)-(11) are the expression of energy band gap for spherical nanosolids, nanowires and nanofilms, respectively. In this paper, we employ Equations (9)- (11) to study the change in band gap energy of semiconductors compounds nanomaterials at different shapes and sizes.…”

“…Semiconductor nanomaterials have been a rapidly growing area of research for scientific community due to their unique electrical, optical, photonic and mechanical properties [1][2][3][4][5][6][7][8][9]. Recently, Hassan et al [10][11] have reported the mechanical, structural, electronic, magnetic and optical behaviours in Zn1-xMnxS (0 ≤ x ≤ 1), which are determined by using Wein2K code. Some of these properties are connected to the surface area to volume ratio of the nanomaterials, which play an important role to characterize their properties.…”

Modifying the electronic and optical properties of nano-ZnS via doping with Mn and Fe

“…The intensity of the main peak decreased when Fe or Mn and/or O doped ZnS, whereas the small peak in the UV affected a little with doping. The peaks occurred in the UV region caused by the interband transitions [47]. The reduction in the main peak in the case of Mn-doped ZnS is larger than Fe doped ZnS sample, Fig.…”

Study of the structural, electronic, magnetic and magnetocaloric properties of La0.5Ca0.5Mn0.9V0.1O3 sample: first-principles calculation (DFT–MFT)

“…3 From E ¼ 7 eV, 3 1 (u) starts to decrease again to a negative value at 7.8 eV, indicating that, beyond this energy value, the incident radiation is completely reected by the surface. 3,[28][29][30][31][32] Fig. 4b shows the variation of 3 2 (u) vs. the photon energy.…”