Tetragonal states from epitaxial strain on metal films
نویسندگان
چکیده
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, and 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 ~and 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. @S0163-1829~97!04944-8#
منابع مشابه
de Strain response of magnetic order in perovskite - type oxide films
The role of elastic strain for magnetoelectric materials and devices is twofold. It can induce ferroic orders in thin films of otherwise non-ferroic materials. On the other hand, it provides the most exploited coupling mechanism in two-phase magnetoelectric materials and devices today. Complex oxide films (perovskites, spinels) are promising for both routes. The strain control of magnetic order...
متن کاملEffects of Interfaces on the Structure and Novel Physical Properties in Epitaxial Multiferroic BiFeO3 Ultrathin Films
In functional oxide films, different electrical/mechanical boundaries near film surfaces induce rich phase diagrams and exotic phenomena. In this paper, we review some key points which underpin structure, phase transition and related properties in BiFeO₃ ultrathin films. Compared with the bulk counterparts, we survey the recent results of epitaxial BiFeO₃ ultrathin films to illustrate how the a...
متن کاملReal-time microscopy of graphene growth on epitaxial metal films: role of template thickness and strain.
Epitaxial transition metal films have recently been introduced as substrates for the scalable synthesis of transferable graphene. Here, real-time microscopy is used to study graphene growth on epitaxial Ru films on sapphire. At high temperatures, high-quality graphene grows in macroscopic (>100 μm) domains to full surface coverage. Graphene nucleation and growth characteristics on thin (100 nm)...
متن کاملStrain response of magnetic order in perovskite-type oxide films.
The role of elastic strain for magnetoelectric materials and devices is twofold. It can induce ferroic orders in thin films of otherwise non-ferroic materials. On the other hand, it provides the most exploited coupling mechanism in two-phase magnetoelectric materials and devices today. Complex oxide films (perovskites, spinels) are promising for both routes. The strain control of magnetic order...
متن کاملA Phase Diagram for Epitaxial PbZr1 xTixO3 Thin Films at the Bulk Morphotropic Boundary Composition
A phase diagram of temperature versus strain was constructed for a (001)-oriented PbZr1 xTixO3 epitaxial single crystal thin film near the bulk morphotropic boundary composition (x5 0.47) on an (001)-oriented cubic substrate. The phase-field approach is employed. It is shown that a mixture of distorted rhombohedral, orthorhombic, and tetragonal phases exists under small values of strain, i.e., ...
متن کامل