Elastic phase transitions in metals at high pressures

Funding Agencies|Russian Foundation for Basic Research|10-02-00156-a10-02-00194-a|
The elastic phase transitions of cubic metals at high pressures are investigated within the framework of Landau theory. It is shown that at pressures comparable with the magnitude of the bulk modulus the phase transition is connected with the loss of stability relative to uniform deformation of the crystalline lattice. Discontinuity of the order parameter at the transition point and its equilibrium value are expressed through the second-to fourth-order elastic constants. The second-, third- and fourth-order elastic constants and phonon dispersion curves of vanadium under hydrostatic pressure are obtained by first-principles calculations. Structural transformation in vanadium under pressure is studied using the obtained results. It is shown that the experimentally observed at P approximate to 69 GPa phase transition in vanadium is the first-order phase transition close to a second-order phase transition.

Vekilov, Yu KhNational Research Technology University of MISiS (author)
Mosyagin, I YuNational Research Technology University of MISiS (author)
Isaev, EyvasLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)eyvis16 (author)
Bondarenko, Nina G.Uppsala universitet,Materialteori,Uppsala University(Swepub:uu)ninbo525 (author)
National Research Technology University of MISiSTeoretisk Fysik (creator_code:org_t)

By the author/editor: Krasilnikov, O M; Vekilov, Yu Kh; Mosyagin, I Yu; Isaev, Eyvas; Bondarenko, Nina ...

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