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Modeling the Effects of Strain in Multiferroic Manganese Perovskites
KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics, Material Physics, MF. (Computational Nanomagnetism)
2015 (English)Student paper second term, 20 credits / 30 HE creditsStudent thesisAlternative title
Modellering av spänningsinverkan på multiferroiska manganitperovskiter (Swedish)
Abstract [en]

The effects of strain on the magnetic phases in perovskites are of interest in the highly active research field of multiferroics. A Monte Carlo program is written to investigate the influence of strain on the low– temperature magnetic phase diagram of the manganese perovskites, RMnO3, where R is a cation in the lanthanide series. A Metropolis simulation scheme is implemented together with parallel tempering to perform computations in a two–dimensional geometry using a conventional nearest–neighbor and next–nearest–neighbor Heisenberg Hamiltonian, extended to include spin–lattice couplings and single–ion anisotropies. The latter two are important to account for structural distortions such as octahedral tilting and the Jahn–Teller effect. It is shown that even weak single–ion anisotropies render incommensurability in the otherwise structurally commensurate E–type ordering, and that the Dzyaloshinskii–Moriya interaction, in combination with single–ion anisotropies, is crucial for the stabilization of previously experimentally observed incommensurate spin spirals. Simulations performed to account for strain in the crystallographic ab–plane show that tensile strain may improve stability of E–type ordering for R elements with small atomic radii and that compressive strain drives the magnetic ordering toward the incommensurate spiral states. 

Abstract [sv]

Spänningsinverkan på de magnetiska faserna i perovskiter är av intresse inom den just nu högaktiva forskningen om multiferroiska material. Ett Monte Carlo-program har skrivits för att undersöka effekterna av spän- ning på de magnetiska lågtemperaturfaserna i multiferroiska manganitpe- rovskiter, RMnO3, där R är en katjon i lantanoidserien. En kombination av Metropolisalgoritmen och parallelltemperering har använts för att utföra beräkningar i tvådimensionell geometri med en konventionell Heisenberghamiltonian, utökad till att även inkludera spinn–gitterkopplingar och enkeljonsanisotropier. De senare har visats vara viktiga för att ta i beaktande den strukturella distortion i materialet som följer av t.ex. syreoktahederförskjutning och Jahn–Tellereffekten. Det visas att även svaga anisotropier orsakar inkommensurabilitet i den i övrigt kommensurabla E–typsfasen, och att Dzyaloshinskii-Moriyainteraktionen, i kombination med anisotropitermerna, är avgörande för att kunna stabilisera de sedan tidigare experimentellt bekräftade inkommensurabla spinnspiralsfaserna. Simuleringar som modellerar spänning i materialets kristallografiska ab–plan visar att dragspänning kan förbättra stabiliteten hos E–typsfasen för R–atomer med liten radie och att tryckspänning leder den magnetiska ordningen mot inkommensurabla spiraltillstånd. 

Place, publisher, year, edition, pages
2015. , 50 p.
Series
TRITA-ICT-EX, 2015:43
Keyword [en]
Condensed matter physics, multiferroics, magnetism, spin modeling, computational physics
Keyword [sv]
Kondenserade materiens fysik, multiferroiska material, magnetism, spinnmodellering, beräkningsfysik
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-169584OAI: oai:DiVA.org:kth-169584DiVA: diva2:823057
Subject / course
Material Physics
Educational program
Master of Science in Engineering -Engineering Physics
Presentation
2015-06-12, Ledningscentralen, Electrum, Kistagången 16, 164 40 Kista, 10:00 (English)
Supervisors
Examiners
Available from: 2015-06-18 Created: 2015-06-17 Last updated: 2017-06-16Bibliographically approved

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