Faculty Publications
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Item Ferromagnetism in Mn-Doped ZnO: A Joint Theoretical and Experimental Study(American Chemical Society, 2021) Ali, N.; Singh, B.; A R, V.; Lal, S.; Yadav, C.S.; Tarafder, K.; Ghosh, S.We present a joint theoretical and experimental investigation on the origin of ferromagnetism in Mn-doped ZnO. Theoretical calculations revealed that the zinc vacancy (VZn) induces ferromagnetic ordering (FMO), whereas the oxygen vacancy (VO) quenches FMO in the Mn-doped ZnO system. This is further corroborated by the experimental results. Magnetic measurements revealed that Mn-doped ZnO shows room-temperature ferromagnetism (RTFM). Saturated magnetic moment per Mn2+ ion increases with oxygen partial pressure, indicating that the VZn enhances FMO in Mn-doped ZnO. Electron paramagnetic resonance and photoluminescence measurements revealed the presence of VZn in Mn-doped ZnO films. X-ray photoelectron spectroscopy measurements showed mixed oxidation states of Mn in Mn-doped ZnO films. Finally, we show that RTFM at very low doping concentrations is due to the overlapping of bound magnetic polarons. However, due to antiferromagnetic coupling at higher doping concentrations, the FMO weakens. © 2021 American Chemical Society.Item Understanding and tuning of spinterface for chemisorbed Ni-dinuclear quinonoid on Co(001) substrate(IOP Publishing Ltd, 2021) Reddy, I.R.; Tarafder, K.Planar magnetic molecules are of great research interest in the past few years because of their possible application in molecular spintronics. Microscopic understanding of the adsorption and magnetic exchange interaction of these molecules to the metallic/magnetic surfaces may pave the way in developing efficient molecular spin switching devices. Herein, using density functional theory + U calculations, we have studied the structural, electronic, and magnetic properties of a Ni-dinuclear molecule chemically adsorbed on a Co(001) substrate. Switching of the spin and oxidation state of the Ni atom present in the molecule was observed due to the adsorption. We report a strong antiferromagnetic coupling between the spins of the Ni-dinuclear molecule to the ferromagnetic Co(001) substrate. The study reveals an indirect exchange interaction between the magnetic center of the molecule and the substrate Co atoms. The exchange interaction is mediated through the ligands of the molecule that stabilizes the spin moment of the molecule in an antiferromagnetic alignment to the substrate magnetization. Our study also shows that the spin state and strength of MAE of the adsorbed molecule can be tailored through the magneto-chemical method by adding the Cl atom as an axial ligand to the magnetic center of the molecule. © 2021 IOP Publishing Ltd.Item Low field-cooled induced large exchange bias effect and DFT calculations in ferromagnetic Sm2CoMnO6(Elsevier Ltd, 2024) Nayak, A.; Prashanth, C.H.; Bala, D.; Reddy, I.R.; Tarafder, K.; Adyam, V.; Jyothinagaram, K.In the present report, we study the large exchange bias effect in Sm2CoMnO6 (SCMO) polycrystalline samples synthesized with the presence of two crystallographic phases: ordered-phase (monoclinic; P21/n) and disordered-phase (orthorhombic; Pnma). X-ray photoelectron spectroscopy study revealed the presence of mixed valence states for Co (2+ & 3+) and Mn (4+ & 3+). M(T) data exhibits an inhomogeneous magnetic state with the presence of ferromagnetic ordering at TC ∼128 K due to the super-exchange interactions of Co2+-O2--Mn4+ and antiferromagnetic-like spin correlations for T < 50 K, attributed to Co3+-O2--Co3+, and Mn3+-O2--Mn3+ interactions. M(H) loop shift with a conventional exchange bias (EB) effect of 10 kOe for a field-cooled (HFC) of 10 kOe at 2 K was observed. Such a large value of the EB effect for low HFC in SCMO is comparable to that of large EB compounds, such as La1·5Sr0·5CoMnO6 and NiFe2O4/CoO nanocomposites. The zero-field cooled asymmetry in the M(H) loop is termed a spontaneous exchange bias effect (SEB) observed for T < 20 K. The systematic study of EB effects like HEB and MEB with T(K) and HFC was explained qualitatively by the presence of unidirectional anisotropy formed at the interface of inhomogeneous magnetic phases. Further, density functional theory (DFT) calculations validate the ferromagnetic ground state of SCMO with Co and Mn networks. Moreover, the semiconductor characteristics of SCMO are established with a band gap of 1.3 eV. © 2023Item Phonon dynamics with collective spin excitations and orbital ordering in quasi-two-dimensional La1.4Sr1.6Mn2 O7(American Physical Society, 2025) Mekap, S.; Kumar, B.; Ananthram, K.S.; Tarafder, K.; Ghosh, S.; Roy, A.This paper discusses the coupling between spin-wave-mediated magnetic interactions and lattice degrees of freedom in bilayer La1.4Sr1.6Mn2O7 (BL-LSMO-0.3). The thermal evolution of the Raman shift, as obtained from micro-Raman spectroscopic measurements over a wide temperature range, reveals the evolution of phonon dynamics while the system undergoes a balance between double and superexchange spin-spin interactions through spin-wave modulation in different magnetic phases. The evolution of relative magnetoelastic coupling strengths for nearest-neighbor ferromagnetic and next-nearest-neighbor antiferromagnetic superexchange interactions in the high-temperature canted antiferromagnetic phases are estimated. We have also demonstrated the existence of orbital ordering and its correlation with spin-phonon dynamics in the canted antiferromagnetic phases of BL-LSMO-0.3 from the detailed analysis of the high-wave-number orbiton-related phonon modes. Our study further reveals the absence of charge ordering in the compound. The complex coupling of lattice distortion, orbital ordering, the nearest- and next-nearest-neighbor spin-spin interactions in determining the canted spin states of the system is discussed. © 2025 American Physical Society.