2016/11/30 by Alexander I. Nesterov, Yuri S. Orlov, Sergey G. Ovchinnikov +2
Materials Science · Physics and Astronomy · #Condensed matter physics #Crossover #Hamiltonian (control theory) #Magnetism in coordination complexes #Metastability #Phase (matter) #Phase diagram #Phase transition #Physics #Physics of Superconductivity and Magnetism #Population #Quantum and electron transport phenomena #Quantum mechanics #Quantum phase transition #Spin crossover #Spin transition #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.96.134103
published as Phys. Rev. B 96, 134103 (2017) · This paper has been withdrawn by the author due to a crucial error in equation 31
arxiv created 2017/03/15 · openalex publication_date 2017/10/09 · arxiv updated 2017/10/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Within the framework of a realistic multiband p\ensuremath-d model, we derived an effective Hamiltonian to describe the exchange interaction effects near the spin crossover in magnetic Mott-Hubbard insulators under pressure. It is shown that the single-ion mechanism of spin crossover under the change in the crystal field does not lead to a thermodynamic phase transition; however, at T=0 a quantum phase transition appears. It has been found that the cooperativity leads to a modification of the quantum phase transition to a first-order phase transition and the appearance of metastable states of the system. The pressure-temperature phase diagram has been obtained to describe the magnetization and high-spin population near the spin crossover of Mott's insulators with d6 ions.