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Interacting Frenkel defects at high concentration and the superionic transition in fluorite crystals

✍ Scribed by N.H. March; M.P. Tosi


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
361 KB
Volume
42
Category
Article
ISSN
0022-3697

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The electronic band structure for a series of perfect fluorite-type crystals MF 2 , M = Ca, Sr, Ba, Pb, and for the crystals containing Frenkel defects has been studied by means of the LMTO-ASA-TB approach. As basis the supercell M 8 F 16 has been used. The energies of the defect formation and migra