Germanene/GaGeTe heterostructure: a promising electric-field induced data storage device with high carrier mobility.

Opening up a band gap without lowering high carrier mobility in germanene and finding suitable substrate materials to form van der Waals heterostructures have recently emerged as an intriguing way of designing a new type of electronic devices. By using first-principles calculations, here, we systematically investigate the effect of the GaGeTe substrate on the electronic properties of monolayer germanene. Linear dichroism of the Dirac-cone like band dispersion and higher carrier mobility (9.

The electronic and magnetic properties of functionalized silicene: a first-principles study.

Based on first-principles calculations, we study the structural, electronic, and magnetic properties of two-dimensional silicene saturated with hydrogen and bromine atoms. It is found that the fully saturated silicene exhibits nonmagnetic semiconducting behavior, while half-saturation on only one side with hydrogen or bromine results in the localized and unpaired electrons of the unsaturated Si atoms, showing ferromagnetic semiconducting or half-metallic properties, respectively. Total energy calculations show that the half-hydrogenated silicene exhibits a ferromagnetic order, while the half-brominated one exhibits an antiferromagnetic behavior.

First-principles prediction on electronic and magnetic properties of hydrogenated AlN nanosheets.

Based on first-principles calculations, the geometric, electronic, and magnetic properties as well as the relative stability of the fully hydrogenated and semihydrogenated AlN nanosheets (NSs) have been investigated. The results show that different with the bare graphite-like AlN NSs terminating with polar (0001) surfaces, the hydrogenated configurations preserve the initial wurtzite structure. Depending on surface hydrogenation and the thickness of AlN NSs, three magnetic configurations, that is, semiconductor, half metal, and metal states, are all observed.