Related papers: Probing Magnetism in Self-Assembled Organometallic…
Systems with strong spin orbit coupling support a number of new phases of matter and novel phenomena. This work focuses on the interplay of spin orbit coupling and interactions in yielding correlated phenomena in two dimensional transition…
Controlling mesoscale and nanoscale material structures and properties through self-organized atomic behavior is essential for atomic-scale manufacturing. However, direct and visual studies on the cross-scale effects of such atomic…
Using a state-of-the art combination of density functional theory and impurity solver techniques we present a complete and parameter-free picture of the Kondo effect in the high-spin ($S=3/2$) coordination complex known as Manganese…
In using the fully relativistic versions of the Embedded Cluster and Screened Korringa-Kohn-Rostoker methods for semi-infinite systems the magnetic properties of single adatoms of Fe and Co on Ir(111) and Pt(111) are studied. It is found…
Metallorganic molecules have been proposed as excellent spin filters in molecular spintronics because of the large spin-polarization of their electronic structure. However, most of the studies involving spin transport, have disregarded…
Quantum manipulation of molecular radical spins provides a crucial platform for exploring emergent phenomena in many-body systems. Here, we combine surface-confined synthesis with scanning tunneling microscopy(STM)tip-induced…
Magnetic materials with kagome crystal structure exhibit rich physics such as frustrated magnetism, skyrmion formation, topological flat bands, and Dirac/Weyl points. Until recently, most studies on kagome magnets have been performed on…
Single-ion magnetic anisotropy in molecular magnets leads to spin flip excitations that can be measured by inelastic scanning tunneling microscope (STM) spectroscopy. Here I present a semi ab initio scheme to compute the spectral features…
Scanning tunneling microscopy (STM) is a powerful technique for imaging atomic structure and inferring information on local elemental composition, chemical bonding, and electronic excitations. However, traditional methods of visual…
The formation of two-dimensional metal-organic frameworks (MOFs) on an inert surface of a topological insulator (TI) is a pathway to engineer quantum materials with exotic properties. MOFs featuring ferromagnetically coupled metal atoms are…
One-dimensional metal-organic chains often possess a complex magnetic structure susceptible to be modified by a alteration of their chemical composition. The possibility to tune their magnetic properties provides an interesting playground…
Fe$_2$GeTe$_3$ is a paradigmatic van der Waals magnet with the full microscopic picture of magnetic interactions still under debate. Here, we use scanning tunneling microscopy and spectroscopy at 1.1 K to map out the low-energy physics on…
We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms adsorbed on a thin layer of MgO(100) on Ag(100). Despite the…
The interplay between Kondo screening and magnetic interactions is central to comprehending the intricate phases in heavy-fermion compounds. However, the role of the itinerant magnetic order, which is driven by the conducting (c) electrons,…
We report tests of various density functionals for ferromagnetic, Fe, Co and Ni with a focus on characterizing the behavior of the so-called strongly constrained and appropriately normed (SCAN) functional. It is found that SCAN is closer in…
Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…
The electronic structure of the low-temperature (LT) monoclinic magnetite, Fe3O4, is investigated using the local spin density approximation (LSDA) and the LSDA+U method. The self-consistent charge ordered LSDA+U solution has a pronounced…
Magnetic molecules on surfaces have been widely investigated to reveal delicate interfacial couplings and for potential technological applications. In these endeavors, one prevailing challenge is how to preserve or recover the molecular…
Previous studies have accurately determined the effect of transition metal point defects on the properties of bcc iron. The magnetic properties of transition metal monolayers on the iron surfaces have been studied equally intensively. In…
The Li-centered "ferric wheel" molecules with six oxo-bridged iron atoms form molecular crystals. We probed their electronic structure by X-ray photoelectron (XPS) and soft X-ray emission spectroscopy (XES), having calculated in parallel…