Abstract
The self-consistent phonon theory of anharmonic lattice dynamics is derived via a stationary functional formulation. The crystal dynamics is approximated by a set of damped oscillators, and these are used to construct a trial action, analytically continued into the complex time-temperature plane. Using the action, a free-energy functional is required to be stationary with respect to the trial oscillators. The resulting phonon modes are undamped at the first order of approximation, whereas to second order the phonon spectral function is determined self-consistently. Expressions are obtained in first order for various thermodynamic derivatives, such as pressure, elastic constants, specific heats, and thermal expansion.
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.
