Hakima Yahi

Université 8 mai 1945 - Guelma · Department of Material Science

Transition metal trihalides (MX3) are one of the two-dimensional (2D) materials families that have garnered a lot of attention, especially after the first experimental realization of an intrinsic ferromagnetic CrI3 monolayer. The vanadium trichloride VCl3 monolayer, which is a member of this family, has been proven to be a stable Dirac half-metal w...

Two-dimensional transition metal carbides and nitrides, known as MXenes, have recently attracted particular attention because of their different properties and promising applications. Herein, we report a computational study of the structural, mechanical, and electronic properties of MXene, M4C3 (M = Sc, Ti, Zr, Mo, Hf, and W) monolayers through den...

Two-dimensional (2D) materials with intrinsic magnetism have sparked a lot of attention due to their potential applications in spintronics. Recently, monolayer molybdenum triiodide (MoI3), which is a member of the transition metal trihalides (MX3) family, has been predicted to be a stable bipolar ferromagnetic semiconductor (BFMS) with intrinsic ma...

Based on density-functional calculations with Hubbard U correction for onsite Coulomb interactions, the structural, electronic, and magnetic properties of V, Mn, and Co-doped FeTe2 monolayers were investigated. Doping is more preferred in Fe-rich conditions than in Te-rich conditions, while Mn inclusion is the most thermodynamically stable in any e...

Our aim in this paper is to study the influence of doping with transition metals (TM) on the physical properties of CdS. Thus, the structure stability, half-metallic ferromagnetic, and electronic properties of Cr-, V-, Mn-, Cu-, and Sc-doped CdS, at x = 0.0625 concentration have been investigated using first principle calculations based on the dens...

In this study, we investigated the structural, electronic and magnetic properties of Cd0.9375TM0.0625S (TM = Ni, Co and Fe) compounds in zinc blende (B3) ferromagnetic phase using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the frame work of the density functional theory and the generalized gradient approxima...

The structural, electronic and ferromagnetic properties of Cd1-xTMxS (TM=Co and V) compounds at x=0.25, 0.50 and 0.75 in zinc blende (B3) phase, have been investigated using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the frame work of the density functional theory and the generalized gradient approximation....