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Andrews P. Alex

Publications and source records attributed to Andrews P. Alex.

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Bipartite entanglement via distance between the states in a one dimensional spin 1/2 dimer copper acetate monohydrate

In this paper, we used a theoretical measure known as distance between the states, $\mathcal{E}(ρ_e)$, to determine the bipartite entanglement of a one dimensional magnetic dimer system. The calculation was compared with the well-known entanglement measure, concurrence, and found to be the same. $\mathcal{E}(ρ_e)$ was, then, expressed in terms of two thermodynamic quantities, namely, magnetic susceptibility and specific heat. Experimental verification of temperature variation of the bipartite entanglement measure in terms of magnetic susceptibility and specific heat was done on single crystals of copper acetate-an excellent one dimensional dimer system. The results showed the existence of bipartite entanglement till temperatures as high as room temperature! Large sized single crystals of copper acetate were grown by a new evaporation technique and characterised by TGA, IR and Raman spectroscopy measurements.Density functional theory calculations were done to calculate the delocalisation index which showed much lower values of $δ(Cu,Cu)$ than other bonds, implying that the probability of direct Cu-Cu exchange in copper acetate is very small.

cond-mat.str-el

One-dimensional magnetism in a facile spin 1/2 Heisenberg antiferromagnet with a low saturation field

This work reports the synthesis, structure and magnetic properties of the single crystal of a facile spin 1/2 one dimensional Heisenberg antiferromagnet bis(4-aminopyridinium) bis(oxalato)cuprate(II) dihydrate, (C 5 H 7 N 2 ) 2 [Cu(C 2 O 4 ) 2 ].2H 2 O. Single crystals of large sizes of the title compound were obtained using the technique of liquid-liquid diffusion or layer diffusion with 100 % yield. Single crystal X-ray diffraction measurements revealed a very good quality of the grown single crystals with small value of goodness of fit R obtained at 1.058. The structure comprises corner-sharing CuO 6 octahedra resulting in Cu-Cu chains in the a-direction that are very well isolated in the b and c directions. Density functional theory (DFT) with three different basis sets (B3LYP/6-311++G(d,p); B3LYP/LanL2DZ and B3LYP/6-311++G(d,p), B3LYP/LanL2DZ) generated the optimized geometry of a monomeric unit as well as its vibrational spectra. The vibrational frequency corresponding to the CuO 6 octahedron was found in the experimentally obtained IR spectrum that matched very well with the theoretically obtained IR spectra incorporating the mixed basis. Temperature dependent dc magnetic susceptibility revealed a low temperature peak suggesting the presence of low dimensional magnetism in the system. Bonner-Fisher fit confirmed the one dimensional nature of the magnetic interaction with an exchange coupling constant of 1.23 K. Magnetisation measurements along with Quantum Monte Carlo simulations confirm this metal-organic crystal to be a very good spin-1/2 Heisenberg antiferromagnet with a low saturation field H s of 1.75 T.

cond-mat.str-el