Magnetic short-range order in iron above Tc? Statistical mechanics with many-atom interactions
作者： K S Chana , J H Samson , M U Luchini , V Heine
DOI: 10.1088/0953-8984/3/33/022
关键词: Statistical mechanics 、 Paramagnetism 、 Condensed matter physics 、 Magnetization 、 Electronic structure 、 Exchange interaction 、 Heisenberg model 、 Hamiltonian (quantum mechanics) 、 Chemistry 、 Spherical model
摘要: An effective spin Hamiltonian for iron has been derived previously from electronic structure calculations; there are strong many-atom interactions. The exchange interactions Jij depend on the surrounding magnetic order. authors investigate magnetization and correlation function in this basis two ways: by fitting to an analytically soluble (an extended spherical model) Monte Carlo simulation. Short-range do not lead substantial short-range order paramagnetic state; behaviour closely resembles that of nearest-neighbour Heisenberg model. main effect is a slight distortion curve below TC. Longer-range oscillatory pair needed order, but supported data. They conclude calculations energy static configurations unusual
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