scholarly journals The antiferromagnetic $S=1/2$ Heisenberg model on the C$_{60}$ fullerene geometry

2021 ◽  
Vol 10 (4) ◽  
Author(s):  
Roman Rausch ◽  
Cassian Plorin ◽  
Matthias Peschke

We solve the quantum-mechanical antiferromagnetic Heisenberg model with spins positioned on vertices of the truncated icosahedron using the density-matrix renormalization group (DMRG). This describes magnetic properties of the undoped C_{60}60 fullerene at half filling in the limit of strong on-site interaction UU. We calculate the ground state and correlation functions for all possible distances, the lowest singlet and triplet excited states, as well as thermodynamic properties, namely the specific heat and spin susceptibility. We find that unlike smaller C_{20}20 or C_{32}32 that are solvable by exact diagonalization, the lowest excited state is a triplet rather than a singlet, indicating a reduced frustration due to the presence of many hexagon faces and the separation of the pentagonal faces, similar to what is found for the truncated tetrahedron. This implies that frustration may be tuneable within the fullerenes by changing their size. The spin-spin correlations are much stronger along the hexagon bonds and exponentially decrease with distance, so that the molecule is large enough not to be correlated across its whole extent. The specific heat shows a high-temperature peak and a low-temperature shoulder reminiscent of the kagomé lattice, while the spin susceptibility shows a single broad peak and is very close to the one of C_{20}20.

2008 ◽  
Vol 22 (16) ◽  
pp. 2589-2597
Author(s):  
C. SRINITIWARAWONG ◽  
P. PUNPET

We have calculated the orbital correlation of the spinless two orbitals Hubbard chain in the limit of a very strong on-site Coulomb interaction and half-filling. The Hamiltonian is written in the form of pseudospin operators, and the Hilbert space is restricted to those states with only one electron per lattice site. The ground state wave function has been calculated using the density matrix renormalization group method. It has been found that the orbital correlations occur in the chain along the x-, y-, and z-axis and these are in antiferro-orbital states.


2002 ◽  
Vol 01 (02) ◽  
pp. 351-371 ◽  
Author(s):  
SHUHUA LI ◽  
JING MA ◽  
YUANSHENG JIANG

This paper briefly reviewed the Heisenberg model and its improvement by including higher order corrections, and their applications to bond lengths, stability, and reactivity of non-benzenoids and the low-lying excitation spectra of conjugated systems. Two efficient computational methods, the Lanczos method and the density-matrix renormalization group (DMRG), for exactly and approximately solving various Heisenberg models, respectively, were briefly introduced.


Sign in / Sign up

Export Citation Format

Share Document