Grechnev G. Electronic structure of d- and f-metal compounds: effects of hybridisation and spin polarization

Українська версія

Thesis for the degree of Doctor of Science (DSc)

State registration number

0508U000085

Applicant for

Specialization

  • 01.04.07 - Фізика твердого тіла

15-01-2008

Specialized Academic Board

Д 64.175.03

B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine

Essay

Object is electronic structure of crystalline solids. Method is the density functional theory. The nature of anomalous magneto-volume effects has been revealed. The calculations of the magnetic susceptibility anisotropy have been performed for the HCP transition metals, and the hybridization role in magnetic properties was studied for borides, silicides, germanides, 4f- and 5f-metal compounds. The stability, structural, magnetic and electro-chemical properties of the lithiated spinels, carbides and transition metal oxides are investigated

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