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Tuning order-by-disorder multiferroicity in CuO by doping

Hellsvik, J. (author)
Balestieri, M. (author)
Usui, T. (author)
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Stroppa, A. (author)
Bergman, Anders (author)
Uppsala universitet,Materialteori
Bergqvist, Lars (author)
KTH,Materialfysik, MF
Prabhakaran, D. (author)
Eriksson, Olle (author)
Uppsala universitet,Materialteori
Picozzi, S. (author)
Kimura, T. (author)
Lorenzana, J. (author)
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 (creator_code:org_t)
2014
2014
English.
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 90:1, s. 014437-
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • The high Curie temperature multiferroic compound CuO has a quasidegenerate magnetic ground state that makes it prone to manipulation by the so-called "order-by-disorder" mechanism. First principle computations supplemented with Monte Carlo simulations and experiments show that isovalent doping allows us to stabilize the multiferroic phase in nonferroelectric regions of the pristine material phase diagram with experiments reaching a 250% widening of the ferroelectric temperature window with 5% of Zn doping. Our results allow us to validate the importance of a quasidegenerate ground state on promoting multiferroicity on CuO at high temperatures and open a path to the material engineering of multiferroic materials. In addition we present a complete explanation of the CuO phase diagram and a computation on the incommensurability in excellent agreement with experiment without free parameters.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

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