Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 27(18), p. 18323-18335
DOI: 10.1039/c6cp02067d
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Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magnéli phase
Journal article published in 2016 by
Anouar Benali 
,
Luke Shulenburger ,
Jaron T. Krogel,
Xiaoliang Zhong,
Paul R. C. Kent,
Olle Heinonen
,
Luke Shulenburger ,
Jaron T. Krogel,
Xiaoliang Zhong,
Paul R. C. Kent,
Olle Heinonen
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Abstract
Spin density surfaces in the low temperature phase of Ti4O7: the ferromagnetic state (left panel), and the lowest-energy antiferromagnetic state (right panel). The figures were generated using self-interaction corrected density functional theory.