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We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…
We present a density functional study of Fe doped into the tetrahedral and octahedral cation sites of the wide band gap spinel ZnGa$_2$O$_4$. We calculate the electronic structure for different substitutions and discuss the magnetic and…
We present a comprehensive investigation of the effects of Fe doping on the lattice dynamics, magnetic ordering, and magneto-transport properties of the intercalated van der Waals antiferromagnets Co1-xFexNb3S6 (x = 0.1 and 0.3).…
We have studied the crystal and magnetic structures of Fe-doped hexagonal manganites LuMn1-xFexO3 (x = 0, 0.1, 0.2, and 0.3) by using bulk magnetization and neutron powder diffraction methods. The samples crystalize consistently in a…
Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…
Topological insulators are characterized by the existence of band inversion and the possibility of the realization of surface states. Doping with a magnetic atom, which is a source of the time-reversal symmetry breaking, can lead to…
We report a first-principle study on electronic structure and simulation of the spin-polarized scanning tunneling microscopy graphic of a benzene/Fe4N interface. Fe4N is a compound ferromagnet suitable for many spintronic applications. We…
We investigate signatures of electronic correlations in the narrow-gap semiconductor FeGa$_3$ by means of electrical resistivity and thermodynamic measurements performed on single crystals of FeGa$_3$, Fe$_{1-x}$Mn$_x$Ga$_3$ and…
The binary intermetallic materials, $M_3$Sn$_2$ ($M$ = 3d transition metal) present a new class of strongly correlated systems that naturally allows for the interplay of magnetism and metallicity. Using first principles calculations we…
We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…
Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance…
For magnonics and spintronics applications, the spin polarization ($P$) of a transport current and the magnetic damping ($\alpha$) play a crucial role, e.g. for magnetization dynamics and magnetization switching applications. In particular,…
We have investigated the coupling of lattice with spin via strain interactions in the CoFe2O4/PMN-PT composite system. X-ray diffraction and Raman spectroscopic studies illustrate a remarkable modification in CoFe2O4lattice across Curie…
The ferrimagnetic spinel oxide Zn(x)Fe(3-x)O(4) combines high Curie temperature and spin polarization with tunable electrical and magnetic properties, making it a promising functional material for spintronic devices. We have grown epitaxial…
We propose a novel ferroelectric switchable altermagnetism effect, the reversal of ferroelectric polarization is coupled to the switching of altermagnetic spin splitting. We demonstrate the design principles for the ferroelectric…
Based on the first-principles electronic structure calculations, we investigate the magnetic and electronic properties of transition-metal-doped Pb$_{10}$(PO$_4$)$_6$O with the Pb atom substituted by various transition metals. The $3d$…
Isoelectronic substitution is an ideal tuning parameter to alter electronic states and correlations in iron-based superconductors. As this substitution takes place outside the conducting Fe planes, the electronic behaviour is less affected…
Versatile features of impurity doping effects on perovskite manganites, $R_{0.6}$Sr$_{0.4}$MnO$_{3}$, have been investigated with varying the doing species as well as the $R$-dependent one-electron bandwidth. In ferromagnetic-metallic…
We investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated transition metal atoms (Mn, Fe, Co, Ni, and Cu). Using density…
The multiferroic RMn2O5 family, where R is rare-earth ion or Y, exhibits rich physics of multiferroicity which has not yet well understood, noting that multiferroicity is receiving attentions for promising application potentials. DyMn2O5 is…