J. Schulte et Mc. Bohm, SPECIFIC-HEAT OF THE HALF-FILLED ONE-DIMENSIONAL HUBBARD-MODEL - FEYNMAN PATH-INTEGRAL SIMULATIONS, Physica status solidi. b, Basic research, 199(1), 1997, pp. 59-74
The Feynman path-integral quantum Monte Carlo (PI QMC) approach has be
en employed to study the specific heat C of the one-dimensional (1D) h
alf-filled Hubbard chain as a function of temperature. For not too str
ong many-body interactions C exhibits a single maximum only. With incr
easing correlation strength the C curve shows an intermediate minimum
separating a sharp low-temperature maximum and a broad high-temperatur
e profile. The first peak is caused by spin excitations and the high-t
emperature values of C are determined by charge degrees of freedom. Th
e contribution of both quantities to the net specific heat curve has b
een quantified in the present theoretical setup. The specific heat dat
a are interpreted with the aid of calculated charge fluctuations, prob
abilities P-i(n) to find n = 2, 1, 0 electrons at the respective latti
ce sites, a spin density wave (SDW) order parameter and the electronic
chemical potential mu.