W. J. Fan

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Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast laser-induced spin dynamics, exchange bias, and microstructural effects. Here we present the key methods used in atomistic(More)
We show here that an economic basis set can describe nucleic acid base pairs involving the hydrogen bond interactions in density functional calculations. The economic basis set in which the polarization function is added only to oxygen and nitrogen atoms of strong electronegativity can predict reliable geometric structures and dipole moment of nucleic acid(More)
Band structure of III-V material InSb thin films is calculated using empirical pseudopotential method (EPM). Contrary to the predictions by simple effective mass methods, our calculation predicts that the Γ valley (with the smallest isotropic bulk effective mass) in InSb remains the lowest lying conduction valley despite size quantization effects in the(More)
Ball screw drives are one the most important means of delivering high precision motion in the industries. Due to the lubrication condition in the ball screw is usually a mixed or boundary lubrication, and this creates wear at the contact area in a ball screw when the motion of a ball screw is in the acceleration or the deceleration step. And the(More)
In this work, disordered-IrMn3/insulating-Y3Fe5O12 exchange-biased bilayers are studied. The behavior of the net magnetic moment ΔmAFM in the antiferromagnet is directly probed by anomalous and planar Hall effects, and anisotropic magnetoresistance. The ΔmAFM is proved to come from the interfacial uncompensated magnetic moment. We demonstrate that the(More)
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