Lattice distortion in hcp rare gas solids

Автор(и)

  • A. Grechnev B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Lenin Ave., Kharkov 61103, Ukraine
  • S.M. Tretyak B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Lenin Ave., Kharkov 61103, Ukraine
  • Yu.A. Freiman B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Lenin Ave., Kharkov 61103, Ukraine

DOI:

https://doi.org/10.1063/1.3414347

Ключові слова:

rare-gas solids, lattice distortion, two- and tree-body interatomic forces, DFT calculations.

Анотація

The lattice distortion parameter δ ≡ c/a – Ö8̅/̅3̅ has been calculated as a function of molar volume for the hcp phases of He, Ar, Kr, and Xe. Results from both semi-empirical potentials and density functional theory are presented. Our study shows that δ is negative for helium in the entire pressure range. For Ar, Kr, and Xe, however, δ changes sign from negative to positive as the pressure increases, growing rapidly in magnitude at higher pressures.

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Опубліковано

2010-03-01

Як цитувати

(1)
Grechnev, A.; Tretyak, S.; Freiman, Y. Lattice Distortion in Hcp Rare Gas Solids. Fiz. Nizk. Temp. 2010, 36, 423-428.

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Розділ

Фізичні властивості кpіокpисталів

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