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À propos de : Distortion and Charge Density Wave in the Ga Square Net Coupled to the Site Occupancy Wave in YCo0.88Ga3Ge        

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  • Distortion and Charge Density Wave in the Ga Square Net Coupled to the Site Occupancy Wave in YCo0.88Ga3Ge
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Abstract
  • YCo0.88Ga3Ge has an incommensurately modulated structure that was solved with (3 + 1)D superspace techniques. YCo0.88Ga3Ge crystallizes in the orthorhombic superspace group Immm(α00)00s with unit cell constants of a = 4.1639(4), b = 4.1639(4), c = 23.541(2) Å and a modulation vector of q = 0.3200(4)a* at 293 K. The incommensurate modulation, which creates a very large supercell (∼25 fold), arises from a charge density wave (CDW) in the square net of Ga atoms that is coupled with a site occupancy wave (SOW) of Co atoms. The distorted Ga net features polygallide ribbons, chains, as well as single atoms. Temperature dependent crystallographic studies of the structure from 100−500 K indicate that the CDW is “locked in”. Electrical conductivity and thermopower measurements in the temperature range of 300−500 K show that YCo0.88Ga3Ge is a poor metal.
  • The structure of YCo0.88Ga3Ge was solved with (3 + 1)D superspace techniques and is shown to possess a locked-in charge density wave. The wave is located in the square net of gallium atoms present in the structure and is coupled to a site occupancy wave of Co atoms above and below the square net.
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  • Site Occupancy Wave in YCo0.88Ga3Ge
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