TY - JOUR
T1 - (formula presented) chains and spin-Peierls transition in TiOCl
AU - Ceder, Gerbrand
AU - Lee, Patrick A.
AU - Marianetti, Chris A.
AU - Seidel, Alexander
AU - Chou, F. C.
PY - 2003
Y1 - 2003
N2 - We study TiOCl as an example of an (formula presented) layered Mott insulator. From our analysis of susceptibility data, combined with local-density-approximation (LDA) and (formula presented) band-structure calculations, we conclude that orbital ordering produces quasi-one-dimensional spin chains and that TiOCl is an example of Heisenberg chains that undergo a spin-Peierls transition. The energy scale is an order of magnitude larger than that of previously known examples. The effects of nonmagnetic Sc impurities are explained using a model of broken finite chains.
AB - We study TiOCl as an example of an (formula presented) layered Mott insulator. From our analysis of susceptibility data, combined with local-density-approximation (LDA) and (formula presented) band-structure calculations, we conclude that orbital ordering produces quasi-one-dimensional spin chains and that TiOCl is an example of Heisenberg chains that undergo a spin-Peierls transition. The energy scale is an order of magnitude larger than that of previously known examples. The effects of nonmagnetic Sc impurities are explained using a model of broken finite chains.
UR - https://www.scopus.com/pages/publications/85038271396
U2 - 10.1103/PhysRevB.67.020405
DO - 10.1103/PhysRevB.67.020405
M3 - Article
AN - SCOPUS:85038271396
SN - 1098-0121
VL - 67
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 2
ER -