Phase Transition in One-Dimensional Hydrogen Chain: a Dependence on Basis Orbitals, Cutoff Radius, and Doping
Teguh Budi Prayitno, Riser Fahdiran
Universitas Negeri Jakarta
Abstract
We demonstrated the dependence of the phase transition in the one-dimensional hydrogen chain on the basis orbitals, cutoff radius, and doping. For reducing the computation, we employed the so called generalized Bloch theorem, where the one hydrogen atom was used. For the nondoped case, we provided a strong dependence of the phase transition on the basis orbitals and the cutoff radius, which yields ground state either the antiferromagnetic state or the ferromagnetic state. When the doping was considered, the spiral ground state appeared between the antiferromagnetic state and the ferromagnetic state. In that case, we showed that the doping induced the spiral ground state.
Keywords: Phase transition, Hydrogen chain, Spiral state
Topic: Physics