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Low‐Dimensional Magnetic Properties of Natural and Synthetic Mixite (Bi,Ca)Cu 6 (OH) 6 (AsO 4 ) 3 · n H 2 O ( n ≈ 3) and Goudeyite YCu 6 (OH) 6 (AsO 4 ) 3 · n H 2 O ( n ≈ 3)
Author(s) -
Golubev Aleksandr,
Brücher Eva,
Schulz Armin,
Kremer Reinhard K.,
Schmidt Franz X.,
Gordon Elija E.,
Whangbo MyungHwan
Publication year - 2018
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201800344
Subject(s) - antiferromagnetism , k nearest neighbors algorithm , chemistry , spin (aerodynamics) , condensed matter physics , exchange interaction , crystallography , materials science , analytical chemistry (journal) , ferromagnetism , physics , thermodynamics , artificial intelligence , computer science , chromatography
The structural, vibrational, and especially the magnetic properties of natural and synthetic polycrystalline samples of the minerals mixite with composition (Bi,Ca)Cu 6 (OH) 6 (AsO 4 ) 3 · n H 2 O ( n ≈ 3) and goudeyite with composition YCu 6 (OH) 6 (AsO 4 ) 3 · n H 2 O ( n ≈ 3) were investigated. The magnetic susceptibilities are characterized by low‐dimensional antiferromagnetic short range ordering and can be well fitted by the theoretical susceptibilities of a spin S = 1/2 alternating Heisenberg chain with nearest‐neighbor spin exchange ranging between 200 K and 130 K for natural mixite and synthetic goudeyite, respectively. The alternation parameters, i.e. the ratios of nearest and next‐nearest neighbor spin exchange range between 0.52 for natural mixite and 0.75 for synthetic mixite and goudeyite, respectively. The experimentally observed spin exchange parameters are consistent with DFT calculations of the spin exchange parameters.