Criticality-Enhanced Magnetocaloric Effect in Quantum Spin Chain Material Copper Nitrate.

ABSTRACT: In this work, a systematic study of Cu(NO₃)₂·2.5 H₂O (copper nitrate hemipentahydrate, CN), an alternating Heisenberg antiferromagnetic chain model material, is performed with multi-technique approach including thermal tensor network (TTN) simulations, first-principles calculations, as well as magnetization measurements. Employing a cutting-edge TTN method developed in the present work, we verify the couplings J = 5.13 K, α = 0.23(1) and Landé factors g_∥= 2.31, g_⊥ = 2.14 in CN, with which the magnetothermal properties have been fitted strikingly well. Based on first-principles calculations, we reveal explicitly the spin chain scenario in CN by displaying the calculated electron density distributions, from which the distinct superexchan

SUBMITTER: Xiang JS 

PROVIDER: S-EPMC5353727 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature