Phase transition in one-dimensional hydrogen chain: A dependence on basis orbitals, cut off radius, and doping

Autor:	T B Prayitno, R Fahdiran
Rok vydání:	2019
Předmět:	History Phase transition Materials science Condensed matter physics Hydrogen atom Radius Computer Science Applications Education Atomic orbital Ferromagnetism Antiferromagnetism Condensed Matter::Strongly Correlated Electrons Ground state Bloch wave
Zdroj:	Journal of Physics: Conference Series. 1402:044080
ISSN:	1742-6596 1742-6588
Popis:	We demonstrated the dependence of the phase transition in the one-dimensional hydrogen chain on the basis orbitals, the cut off radius, and the doping. For reducing the computational cost, we employed the so-called generalized Bloch theorem, where a hydrogen atom was used in the unit cell. For the non-doped case, we showed a strong dependence of the phase transition on the basis orbitals and the cut off radius, which yields either the antiferromagnetic ground state or the ferromagnetic ground state. When the doping was considered, the spiral ground state appeared between the antiferromagnetic state and the ferromagnetic state. Therefore, we showed that the doping induced the spiral ground state.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e74121822029a793503356cd9a8823a5 https://doi.org/10.1088/1742-6596/1402/4/044080 Zobrazit plný text záznamu