Abstract
The tetragonal states produced by isotropic pseudomorphic epitaxial strain in the (001) plane on a tetragonal phase of a crystal are calculated for V, Ti, Rb, Li, K, Sr from first-principles electronic theory. It is shown that each metal has two tetragonal phases corresponding to minima of the total energy with respect to tetragonal deformations, hence are equilibrium phases, and that the equilibrium phases are separated by a region of inherent instability. The equilibrium phase for any strained tetragonal state can thus be uniquely identified. Lattice constants and relative energies of the two phases and the saddle point between them are tabulated, as well as the tetragonal elastic constants of each phase.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
