The Influence of Alkaline Earth Elements on Electronic Properties of α-Si3N4 via DFT Calculation

Two-dimensional superhard silicon nitrides with widely tunable bandgap, high carrier mobility and hole-doping-induced robust magnetism

“…With the same HSE06 method, the bandgap is higher than those of the similarly structured MoSi 2 N 4 monolayer (2.297 eV), 14 MA 2 N 4 (0.99-3.25 eV), 24 MoS 2 (2.23 eV), 71 and phosphorene (1.58 eV), 72 but is closer to that of the h-BN monolayer (5.56 eV). 70 With the same PBE method, its bandgap of 3.865 eV is less than α-Si 3 N 4 (4.68 eV) 73 and β-Si 3 N 4 (4.3 eV), 74 and much higher than SL Si 3 N 4 (about 2 eV). 52 The contribution to the VBM and CBM for each atom in Si 3 N 4 can be visualized by the partial charge density (PCD) distribution, as shown in Fig.…”

Mechanical Behavior and Shape‐Memory Effects of NixTi1−x Alloys with Tunable Mixing of Ni/Ti Powders by Laser‐Directed Energy Deposition

“…[ 26 ] In situ alloying from elemental powder by AM is a cost‐effective alternative, which provides the flexibility of atomic ratio of alloy. [ 27,28 ] This is an effective method to control material properties or create new alloys, especially for NiTi alloys whose phase transition temperature is highly sensitive to composition. [ 26,28,29 ] The atomic ratio difference between Ni and Ti would have a significant impact on the phase transition behavior and microstructure of NiTi.…”