Related papers: Probing Magnetism in Self-Assembled Organometallic…
By first principles method, we have determined the geometric configuration of K/Ba-codoped phenanthrene based on the formation energy calculations, and systematically investigated its electronic and magnetic properties. There are two bands…
We investigate the orbital origin of the Fano-Kondo line shapes measured in STM spectroscopy of magnetic adatoms on metal substrates. To this end we calculate the low-bias tunnel spectra of a Co adatom on the (001) and (111) Cu surfaces…
Spin resonance of single spin centers bears great potential for chemical structure analysis, quantum sensing and quantum coherent manipulation. Essential for these experiments is the presence of a two-level spin system whose energy…
We investigate the periodic Anderson model composed of an itinerant $c$-band and a strongly localized $f$-band, featuring on-site electron-electron interactions in the $f$-orbitals. The two bands interact via a hybridization term with…
Spin-resolved scanning tunneling microscopy is employed to quantitatively determine the spin-polarization of the magnetic field-split Kondo state. Tunneling conductance spectra of a Kondo-screened magnetic atom are evaluated within a simple…
We report a combined experimental and theoretical study of the Kondo effect in a series of binuclear metal-organic complexes of the form [(Me(hfacac)_2)_2(bpym)]^0, with Me = Nickel (II), Manganese(II), Zinc (II); hfacac =…
In the field of condensed matter, the quest to obtain an experimental realization of a Kondo lattice has generated a tremendous effort of the community, from both standpoints of experiments and theory. The pursuit of obtaining independent…
High-resolution angle-resolved photoelectron spectroscopy is used to examine the electronic band structure of FeTe$_{0.5}$Se$_{0.5}$ near the Brillouin zone center. A consistent separation of the $\alpha_{1}$ and $\alpha_{2}$ bands is…
Motivated by recent scanning tunneling microscope (STM) experiments on cobalt clusters adsorbed on single wall metallic nanotubes [Odom {\em et al.}, Science {\bf 290}, 1549 (2000)], we study theoretically the size dependence of STM spectra…
We expand our study on cubic BiFeO$_3$ alloys presented in [K. Koumpouras and I. Galanakis, \textit{J. Magn. Magn. Mater} 323, 2328 (2011)] to include also the BiMnO$_3$ and Bi$_2$MnFeO$_6$ alloys. For the latter we considered three…
We introduce a new approach to the periodic Anderson model (PAM) that allows a detailed investigation of the magnetic properties in the Kondo as well as the intermediate valence regime. Our method is based on an exact mapping of the PAM…
Magnetic properties of a $\sigma-$Fe$_{16}$Cr$_{14}$ alloy calculated with the charge and spin self- consistent Korringa-Kohn-Rostoker (KKR) and combined with coherent potential approximation (KKR-CPA) methods are reported. Non-magnetic…
Organometallic clusters based on transition metal atoms are interesting because possible applications in spintronics and quantum information. In addition to the enhanced magnetism at the nanoscale, the organic ligands may provide a natural…
We have synthesized Cr1.4Fe0.6O3 compound through mechanical alloying of Cr2O3 and Fe2O3 powders and subsequent thermal annealing. The XRD spectrum, SEM picture and microanalysis of EDAX spectrum have been used to understand the structural…
We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of Fe(phen)$_{2}$(NCS)$_{2}$ (phen = 1,10-phenanthroline),…
The structural, electronic and magnetic properties of small ${\rm Fe}_m {\rm Rh}_n$ clusters having $N = m+n \leq 8$ atoms are studied in the framework of a generalized-gradient approximation to density-functional theory. The correlation…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
The Kondo lattice mode, as one of the most fundamental models in condensed matter physics, has been employed to describe a wide range of quantum materials such as heavy fermions, transition metal dichalcogenides and two-dimensional Moire…
How many magnetic moments periodically arranged on a metallic surface are needed to generate a coherent Kondo lattice behavior? We investigate this fundamental issue within the particle-hole symmetric Kondo lattice model using quantum Monte…
We propose the notion of spin-selective Kondo insulator, which provides a fundamental mechanism to describe the ferromagnetic phase of the Kondo lattice model with antiferromagnetic coupling. This unveils a remarkable feature of the…