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  • Peierls Instabilities & Charge Order

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    hafefif99
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    This document discusses energy bands in a periodic potential. It examines how perturbing the potential opens gaps at zone boundaries through Fourier components. Filling rules for monovalent and divalent systems are considered. Dimerizing the lattice introduces new gaps and can lead to insulating behavior if bands are filled. Gains in electronic energy must outweigh elastic costs for a Peierl's transition to occur below a critical temperature, evidenced by Bragg peaks.

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    Peierls instabilities & charge order

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    This document discusses energy bands in a periodic potential. It examines how perturbing the potential opens gaps at zone boundaries through Fourier components. Filling rules for monovalent and divalent systems are considered. Dimerizing the lattice introduces new gaps and can lead to insulating behavior if bands are filled. Gains in electronic energy must outweigh elastic costs for a Peierl's transition to occur below a critical temperature, evidenced by Bragg peaks.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
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    8 views3 pages

    Peierls Instabilities & Charge Order

    Uploaded by

    hafefif99
    This document discusses energy bands in a periodic potential. It examines how perturbing the potential opens gaps at zone boundaries through Fourier components. Filling rules for monovalent and divalent systems are considered. Dimerizing the lattice introduces new gaps and can lead to insulating behavior if bands are filled. Gains in electronic energy must outweigh elastic costs for a Peierl's transition to occur below a critical temperature, evidenced by Bragg peaks.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 3

    ID Chain

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    OnlyhasFouriercomponents forks fin terms
    Relevantbecauseunperturbedsolution areplanewaves henceenergycorrectionterms

    correspondtoFouriercomponentsUni

    Ent Ck.lvkot const onlyshiftsenergies


    kklvlk.IT kNlkkYl
    Ey E E E E net for
    secondorder
    corrections

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    lkYaulktan.ieKIK.Y
    Yieldsthematrix

    I IÉÉ to c
    Andenergies
    yg.gg yy
    yi.y.y
    ta ta
    Agapopensat zoneboundary

    Howarethestatesoccupied

    Periodicboundaryconditionsyielddiscreteknvalues

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    atomswith u valence e occupyUNstateswhichcorrespondstoak

    2 2Ke Eun
    spin Ik Na

    kitta
    Monovalent halffilling conductor divalent filledband insulator
    Bydimerization oflattice a hat newboundaryandgap t a s EalopensMonovalent
    s

    chainnowinsulatingbecauseitfillsband

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    Thegainisthendeterminedbythedifference
    ENJEEi E.dk

    ThelossisgivenbyHooke'slaw

    Edef k x Xo

    Ifstatesabovegapareoccupiedthesystemonlylosesenergydueto deformationThusthe
    occupationandtemperaturearerelevant asthelateronethermallyexcites é

    e.gMITdueto
    Below a certainT suitedmaterialscanexperience achargeordering
    I n
    instabilitiesthatcan cause e a Peierlstransition
    g structure
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    original

    Thisstructuralchangecan beseen e intheBraggpeaks


    g a
    sat k
    Presentation

    Lookedat a ADchainwithperiodicpotentialas a perturbation Icoeffofexpansionare FTVix


    Wesaw nearzoneboundariessomeenergydegeneracy
    Thisopened a gapat zoneboundariesafterdiagonalizing
    Welookedatfilling 2valencefilledbands avalencehalffilledbands

    Bydimerizingthechainfrom a Za wegetnewgapathalfthek frombefore

    energy a 8
    Costselastic

    Ifonlyone valence é bandisfullbutthissaves electronicenergyandit can beworthit


    oE SE Edh
    ADchainunstablebelowcertain T sinceabovethermalshinderPeierlstransition
    TransitioncanbeseenbyBraggpeaks

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