Determination of easy axis in a chemical ferromagnet, 4-(p-chlorobenzylideneamino)-TEMPO (TEMPO = 2,2,6,6-tetramethylpiperidin-1-oxyl)
作者： Junho Jeong , Tina M. Briere , N. Sahoo , T. P. Das , Seiko Ohira
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摘要: The trapping sites for muon and muonium in ferromagnetic p-Cl–Ph–CH=N–TEMPO [(4-(p-chlorobenzylideneamino)–TEMPO (TEMPO = 2,6,6-tetramethyl-piperidin-1-yloxyl)] the hyperfine interaction tensors these are obtained using first-principles Unrestricted Hartree–Fock theory. calculated interactions used to compare zero field spin rotation (μSR) frequencies different choices easy axis observed frequency. It has been concluded that two centers can best explain μSR frequency a trapped singlet near radical oxygen site chlorine. direction of also is determined be b-axis monoclinic lattice. This confirmed by determining distributed magnetization molecular solid which leads minimum dipole–dipole energy. consequences this agreement independent procedures discussed.
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