The effects of electric field on electronic and thermal properties of bilayer boron phosphide: Beyond nearest neighbor approximation

摘要

The behaviors electronic structure and density of states (DOS) of biased AB bilayer boron phosphide (BP) with two configuration types (B P and B B) investigated by the fifth nearest neighbor tight binding model. The bias voltage and temperature dependence of electronic contribution of the heat capacity, electrical and thermal conductivity, paramagnetic susceptibility and Lorenz number have been investigated using linear response theory. The bias voltage increases the energy band gap in B P configuration while in the B B configuration, the band gap decreases to zero at critical bias voltage and then increases again as the bias increases beyond the critical voltage. For B B configuration type, the thermal properties increases with temperature and the thermal properties is larger for stronger bias voltage in U <= 1.0 eV and decreases by further bias increasing in the voltage range U > 1.0 eV. The thermal properties of B P configuration increases linearly with temperature and unlike to B B configuration type, which applying the bias voltage leads to decreasing its thermal properties. The thermal properties of B B configuration type showed more sensitivity to bias and temperature than B P configuration type and their differences increases by increasing the temperature up to 1000 K.