Optimized local modes for lattice dynamical applications
Jorge Iniguez, Alberto Garcia, J. M. Perez-Mato
Abstract
We present a new scheme for the construction of highly localized lattice Wannier functions. The approach is based on a heuristic criterion for localization and takes the symmetry constraints into account from the start. We compare the local modes thus obtained with those generated by other schemes and find that they also provide a better description of the relevant vibrational subspace.
Create a lesson
Related papers
Ferron polariton Hall effect: Deflecting optically rectified polarization with magnetic fields
Omer Yaniv, Dominik M. Juraschek
Band structure of two-dimensional graphene and of one-dimensional nanoribbons via variational quantum algorithms: from energies to wavefunction quality
Raúl Medrano Millán, Rodrigo Gil-Merino y Rubio, Juan Borge et al.
Aging-Improved NH3 Sensing in Polypyrrole Nanotube Chemiresistors
Arya Mohan, Olivia Kamdom, Antoine Enel et al.
Effect of molybdenum content on phase transformations during continuous heating of metastable β Ti-Mo alloys
Veronika Kočiščáková, Anna Veverková, Josef Stráský et al.
Controlling nitrogen incorporation in (Eu,Ba,Ca)TiO3-derived perovskite-type oxynitrides through Fermi Level Engineering
Margarida Barroso, Marie Neumann, Rachele Sciotto et al.
Effect of compensation on magnetic ordering in (Ga,Mn)As
I. A. Kokurin, N. S. Averkiev