Related papers: Long-range electronic interactions between adatoms…
The long-range interactions of two atoms, of an atom and a dielectric wall, of an atom and a perfectly conducting wall, and of an atom between two perfectly conducting walls are calculated, including the effects of retardation, for Li using…
The electron mediated exchange interaction between local spins adsorbed on two-dimensional surface is studied under non-equilibrium conditions. The effective spin-spin interaction is found to depend both on the spin-polarization of the…
Interfaces between (110) and (111)SrTiO3 (STO) single crystalline substrates and amorphous oxide layers, LaAlO3 (a-LAO), Y:ZrO2 (a-YSZ), and SrTiO3 (a-STO) become conducting above a critical thickness tc. Here we show that tc for a-LAO is…
Many-body interactions in metal-organic frameworks are fundamental for emergent quantum physics. Unlike their solution counterpart, magnetization at surfaces in low-dimensional analogues is strongly influenced by magnetic anisotropy induced…
Long range interactions are relevant for a wide range of phenomena in physics where they often present a challenge to theory. In condensed matter, the interplay of Coulomb interaction and disorder remains largely an unsolved problem. In two…
The formation of a novel surface reconstruction upon Co deposition on freshly cleaved Ge(111)2x1 surfaces is studied by means of scanning tunneling microscopy (STM) at low temperature. The deposited Co atoms are immobile at substrate…
Using ab initio methods, we examine the the charge distribution at the interface of alpha-alumina-supported Pt films, and we consider the influence of this interface on CO adsorption. We demonstrate that a combination of electrostatic…
We carried out temperature-dependent (20 - 550 K) measurements of resonant inelastic X-ray scattering on LaCoO$_3$ to investigate the evolution of its electronic structure across the spin-state crossover. In combination with charge-transfer…
We explore the effect of spatiotemporally varying substrate temperature profiles on the dynamics and resulting reaction rate enhancement for the catalytic oxidation of CO on Pt(110). The catalytic surface is "addressed" by a focused laser…
Motivated by the recent achievements in manipulation of C60 molecules in STM experiments, we study theoretically the structure and electronic properties of a C60 molecule in an STM-tunneljunction with a magnetic tip and magnetic adatom on a…
Material surface - analyte interactions play important roles in numerous processes including gas sensing. However, the effects of topological polar surface area (TPSA) of analytes on surface interactions during gas sensing have been so far…
Magnetic impurities in strongly correlated electronic systems serve as sensitive probes to a wide range of many-body quantum phenomena. Broken symmetries in such a system can lead to inequivalent lattice sites, and magnetic impurities may…
Using a numerically exact first-principles many-body approach, we revisit the "prototypical" Kondo case of a cobalt impurity on copper. Even though this is considered a well understood example of the Kondo effect, we reveal an unexpectedly…
Using an ab-initio electronic structure method, I study the (111) surfaces of the half-metallic NiMnSb alloy. In all cases there is a very pronounced surface state within the minority gap which destroys the half-metallicity This state…
Solid state spin qubits are promising candidates for the realization of a quantum computer due to their long coherence times and easy electrical manipulation. However, spin-spin interactions, which are needed for entangling gates, have only…
We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constants, and other relevant quantities by ab initio electronic…
Laser cooled and quantum degenerate atoms are widely being pursued as quantum simulators that may explain the behavior of strongly correlated material systems, and as the basis of today's most precise sensors. A key challenge towards these…
The electronic transport properties of a point-contact system formed by a single Co atom adsorbed on Cu (100) and contacted by a copper tip is evaluated in the presence of intra-atomic Coulomb interactions and spin-orbit coupling. The…
The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite Cu$_x$Pb$_{10-x}$(PO$_4$)$_6$O (`LK99') have explored whether and how this…
A 1/2 magnetization plateau in magnetic fields above 23 T and antiferromagnetic (AF) long-range order (AFLRO) in low fields were found in Cu$_2$CdB$_2$O$_6$. Experimental results agree with quantum Monte Carlo results for an expected spin…