Al-doped ZnO has attracted much attention as a transparent electrode. The graphene-like ZnO monolayer as a two-dimensional nanostructure material shows exceptional properties compared to bulk ZnO. Here, through first-principle calculations, we found that the transparency in the visible light region of Al-doped ZnO monolayer is significantly enhanced compared to the bulk counterpart. In particular, the 12.5 at% Al-doped ZnO monolayer exhibits the highest visible transmittance of above 99%. Further, the electrical conductivity of the ZnO monolayer is enhanced as a result of Al doping, which also occurred in the bulk system. Our results suggest that Al-doped ZnO monolayer is a promising transparent conducting electrode for nanoscale optoelectronic device applications.

Both magnetic-field-induced reverse martensitic transformation (MFIRMT) and mechanical properties are crucial for application of Ni-Mn-Sn magnetic shape memory alloys. Here, we demonstrate that substitution of Fe for Ni can simultaneously enhance the MFIRMT and mechanical properties of Ni-Mn-Sn, which are advantageous for its applications. The austenite in Ni₄₄Fe₆Mn₃₉Sn₁₁ shows the typical ferromagnetic magnetization with the highest saturation magnetization of 69 emu/g at 223 K. The result shows that an appropriate amount of Fe substitution can really enhance the ferromagnetism of Ni₅₀Mn₃₉Sn₁₁ alloy in austenite, which directly leads to the enhancement of MFIRMT. Meanwhile, the mechanical property significantly improves with Fe doping. When there is 4 at.% Fe added, the compressive and maximum strain reach the maximum value (approximately 725.4 MPa and 9.3%). Furthermore, using first-principles calculations, we clarify the origin of Fe doping on martensitic transformation and magnetic properties.

A new strategy of performance tuning is proposed, which shows that replacing Sn by Cu in the Ni₄₇Mn₃₈Sn_15−xCu_x magnetic shape memory alloys can simultaneously tune their martensitic transformation behavior, magnetic and mechanical properties.

Two-dimensional (2D) materials are building blocks for the next generation of electronic and optoelectronic devices.

Transparent anodes are indispensable components for optoelectronic devices. Two-dimensional (2D) materials are attracting increasing research interest due to their unique properties and promising applications. In order to design novel transparent anodes, we investigated the electronic, optical, and electrical properties of 2D ZnO monolayers doped with Al, Ga, and In using the first-principles calculation in combination with the Boltzmann transport theory. When the doping concentration of Al, Ga, and In is less than 12.5 wt %, we find that the average transmittance reaches up to 99% in the visible and UV regions. Moreover, the electrical conductivity is enhanced for the Al, Ga, and In doped systems compared to that of the pristine ZnO monolayer. In particular, a good electrical conductivity with a significant improvement for the In doped ZnO monolayer is achieved compared to Al and Ga doping at the 6.25 wt % level. These results suggest that the ZnO monolayer based materials, and in particular the In doped ZnO monolayer, are promising transparent anodes for nanoscale electronic and optoelectronic applications.