Magnetic Susceptibilities and Spin Structures in Gadorinium Pnictides. I. Semiconductor Case

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The magnetic susceptibilities χ(Q) are calculated numerically for some tight binding band structures with semiconducting property by means of Rath-Freeman method, in which the band structures are fitted to those obtained by APW method for LaN, LaP and GdN. From these calculations, the followings are found. (i) The band structure dependences of χ(Q) are large. Those fitted to the LaN and LaP stabilize the antiferromagnetic state consistent to the experiments, while that to GdN the ferromagnet. (ii) The numerical χ(Q) can be approximated very well by the decoupling expression, in which the matrix element is replaced by the averaged Q-dependent matrix element M(Q) over the B.Z in the formula of χ(Q). Its dispersion is almost determined by M(Q). (iii) In the constant matrix element case only the scatterings between the nearest bands to the Fermi level are important for χ(Q). But, in inclusion of matrix element effect those between sufficiently separated bands also become very important.

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