RESUMEN
Recent reports on the two-dimensional (2D) material CrOCl revealed magnetic ordering and spin polarisation with Curie Temperature T c â¼ 160 K, values higher than most diluted magnetic semiconductors. Here, we investigate the uniaxial and biaxial strain-dependent electronic and transport properties of CrOCl monolayer using first-principles based calculations. The calculated Young's modulus indicates high mechanical flexibility for the application of high strain. Our study shows that strain can induce phase changes from a bipolar magnetic semiconductor â half metal â magnetic metal in the material, leading to interesting spin-resolved conductance with 100% spin filtering. Furthermore, the current-voltage (I-V) response showed conductance fluctuations, characterised by peak to valley ratio and switching efficiency offering high strain assisted tunability. Overall, CrOCl shows a highly anisotropic behaviour with the material displaying 100% spin polarisation in the tensile strain region. The electronic, transport and mechanical properties indicate that CrOCl is a versatile 2D material with multi-phase capabilities having promising applications for future nanospintronic devices.
RESUMEN
Phosphorene is a newly unveiled two-dimensional crystal with immense potential for nanoelectronic and optoelectronic applications. Its unique electronic structure and two dimensionality also present opportunities for single electron devices. Here we report the behaviour of a single electron transistor (SET) made of a phosphorene island, explored for the first time using ab initio calculations. We find that the band gap and the charging energy decrease monotonically with increasing layer numbers due to weak quantum confinement. When compared to two other novel 2D crystals such as graphene and MoS2, our investigation reveals larger adsorption energies of gas molecules on phosphorene, which indicates better a sensing ability. The calculated charge stability diagrams show distinct changes in the presence of an individual molecule which can be applied to detect the presence of different molecules with sensitivity at a single molecular level. The higher charging energies of the molecules within the SET display operational viability at room temperature, which is promising for possible ultra sensitive detection applications.