The fascinating world of low-dimensional quantum spin systems: Ab initio modeling
T Saha-Dasgupta - Molecules, 2021 - mdpi.com
In recent times, ab initio density functional theory has emerged as a powerful tool for making
the connection between models and materials. Insulating transition metal oxides with a …
the connection between models and materials. Insulating transition metal oxides with a …
Diverse Magnetic Chains in Inorganic Compounds
LV Shvanskaya, AN Vasiliev - Accounts of Materials Research, 2024 - ACS Publications
Conspectus In both inorganic and metal–organic compounds, transition metals surrounded
by ligands form regular or distorted polyhedra, which can be either isolated or …
by ligands form regular or distorted polyhedra, which can be either isolated or …
Understanding Cooperativity in Tetrazole-Based Fe (II) Spin-Crossover Coordination Networks: Effects of Alkyl Linkers
Employing first-principles calculations and a model Hamiltonian approach, we study the
cooperative spin-crossover properties in Fe-tetrazole coordination polymers upon variation …
cooperative spin-crossover properties in Fe-tetrazole coordination polymers upon variation …
Magnetism and ESR of the antiferromagnet with dimer-chain structure
XC Liu, ZW Ouyang, TT **ao, JJ Cao, ZX Wang, ZC **a… - Physical Review B, 2022 - APS
We report the magnetism and ESR of the S eff= 1/2 compound BaCo 2 (SeO 3) 3· 3 H 2 O
with dimer-chain structure. The magnetic susceptibility and heat capacity show that the …
with dimer-chain structure. The magnetic susceptibility and heat capacity show that the …
Comparative study of Sr(Ch=S, Se): 2-D AFM spin S = 2 ladder systems
We present a microscopic study of the electronic and magnetic properties of the spin ladder
systems Sr 2 Fe 3 Ch 2 O 3 (Ch= S, Se) based on density functional calculations and on ab …
systems Sr 2 Fe 3 Ch 2 O 3 (Ch= S, Se) based on density functional calculations and on ab …