We present a numerical simulation study of the exchange bias (EB) effect in nanoparticles with core/shell structure aimed to unveil the microscopic origin of some of the experimental phenomenology associated to this effect. In particular, we have foc
used our study on the particle size and field cooling dependence of the hysteresis loop shifts. To this end, hysteresis loops after a field cooling process have been computed by means of Monte Carlo simulations based on a model that takes into account the peculiar properties of the core, shell and interfacial regions of the particle and the EB and coercive fields have been extracted from them. The results show that, as a general trend, the EB field $h_{EB}$ decreases with increasing particle size, in agreement with some experimental observations. However, closer inspection reveals notable oscillations of $h_{EB}$ as a function of the particle radius which we show to be closely related to the net magnetization established after field cooling at the interfacial shell spins. For a particle with ferromagnetic interface coupling, we show that the magnitude and sign of $h_{EB}$ can be varied with the magnetic field applied during the cooling process.
We present an atomistic model of a single nanoparticle with core/shell structure that takes into account its lattice strucutre and spherical geometry, and in which the values of microscopic parameters such as anisotropy and exchange constants can be
tuned in the core, shell and interfacial regions. By means of Monte Carlo simulations of the hysteresis loops based on this model, we have determined the range of microscopic parameters for which loop shifts after field cooling can be observed. The study of the magnetic order of the interfacial spins for different particles sizes and values of the interfacial exchange coupling have allowed us to correlate the appearance of loop asymmetries and vertical displacements to the existence of a fraction of uncompensated spins at the shell interface that remain pinned during field cycling, offering new insight on the microscopic origin of the experimental phenomenology.
