Numerical studies of ground state phase diagrams for the MMX chains

Citation
M. Kuwabara et K. Yonemitsu, Numerical studies of ground state phase diagrams for the MMX chains, MOLEC CRYST, 341, 2000, pp. 1337-1342
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Volume
341
Year of publication
2000
Pages
1337 - 1342
Database
ISI
SICI code
Abstract
We study ground state phase diagrams for the MMX chains, using a one-dimens ional dimerized 3/4-filled extended Hubbard-Peierls model with sire diagona l and off-diagonal electron-lattice interactions. The ground states no obta ined mainly in the Hartree-Fock approximation, and their accuracy is checke d by the exact diagonalization of small clusters. We find a new phase in ad dition to Frequently considered phases and compare our results with experim ental results.