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Ab initio local-spin-density study of the structural and magnetic properties of La1−xCaxMnO3 systems

✍ Scribed by R Lorenz; R Hafner; D Spišák; J Hafner


Book ID
114223720
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
64 KB
Volume
226-230
Category
Article
ISSN
0304-8853

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Based on ab initio total energy calculations, the structural, electronic and magnetic properties of RhH alloy with both cubic and tetrahedral structures are investigated as a function of the volume. It is shown that NaCl-type cubic structure is more stable than the tetrahedral one energetically as o