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Electronic properties of HfXY intermetallic compounds (X = Si, Ge; Y = S, Se, Te)

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Abstract

The electric field gradient (efg) parameters were calculated for the ternary system HfXY (X = Si, Ge; Y = S, Se, Te), using the full-potential linear augmented plane wave (LAPW) method applying the generalized gradient approximation (GGA). The major contribution to the efg value in these compounds comes from the p-p contribution next to the probe nucleus. The intermetallic compounds HfXY (X = Si, Ge; Y = S, Se, Te) show similar electronic properties. This similarity can be attributed to the resemblance of the crystallographic structure and the alike electronic structure of the X and Y ligand atoms, having two and four p-electrons in the external orbital, respectively.

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Authors and Affiliations

  1. Nuclear Research Center-Negev, P.O. Box 9001, Beer-Sheva, 84190, Israel

    I. Yaar, I. Halevy, S. Kahane, A. Beck & Z. Berant

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  1. I. Yaar
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  2. I. Halevy
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  3. S. Kahane
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  4. A. Beck
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  5. Z. Berant
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Correspondence to I. Yaar.

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Yaar, I., Halevy, I., Kahane, S. et al. Electronic properties of HfXY intermetallic compounds (X = Si, Ge; Y = S, Se, Te). Hyperfine Interact 176, 27–31 (2007). https://doi.org/10.1007/s10751-008-9631-y

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