The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on the Au(111) metal surface are studied. In particular, we consider MOCNs made of Ni or Mn metal centers linked by TCNQ (7,7,8,8-tetracyanoquinodimethane) organic ligands, which form rectangular networks with 1:1 stoichiometry. Based on the analysis of X-ray magnetic circular dichroism (XMCD) data taken at T= 2.5 K, we find that Ni atoms in the Ni-TCNQ MOCNs are coupled ferromagnetically and do not show any significant magnetic anisotropy, while Mn atoms in the Mn-TCNQ MOCNs are coupled antiferromagnetically and do show a weak magnetic anisotropy with in-planemagnetization. We explain these observations using both amodelHamiltonian based on mean-fieldWeiss theory and density functional theory calculations that include spin-orbit coupling. Our main conclusion is that the antiferromagnetic coupling between Mn spins and the in-plane magnetization of the Mn spins can be explained neglecting effects due to the presence of the Au(111) surface, while for Ni-TCNQ the metal surface plays a role in determining the absence of magnetic anisotropy in the system.
Dr.jens.brede
Shared posts
Magnetic properties of metal-organic coordination networks based on 3d transition metal atoms. (arXiv:1802.08243v1 [cond-mat.mes-hall])
Infrared hyperbolic metasurface based on nanostructured van der Waals materials
Metasurfaces with strongly anisotropic optical properties can support deep subwavelength-scale confined electromagnetic waves (polaritons), which promise opportunities for controlling light in photonic and optoelectronic applications. We developed a mid-infrared hyperbolic metasurface by nanostructuring a thin layer of hexagonal boron nitride that supports deep subwavelength-scale phonon polaritons that propagate with in-plane hyperbolic dispersion. By applying an infrared nanoimaging technique, we visualize the concave (anomalous) wavefronts of a diverging polariton beam, which represent a landmark feature of hyperbolic polaritons. The results illustrate how near-field microscopy can be applied to reveal the exotic wavefronts of polaritons in anisotropic materials and demonstrate that nanostructured van der Waals materials can form a highly variable and compact platform for hyperbolic infrared metasurface devices and circuits.
Electron-phonon coupling in graphene placed between magnetic Li and Si layers on cobalt
Author(s): Dmitry Yu. Usachov, Alexander V. Fedorov, Oleg Yu. Vilkov, Ilya I. Ogorodnikov, Mikhail V. Kuznetsov, Alexander Grüneis, Clemens Laubschat, and Denis V. Vyalikh
Superconductivity in two-dimensional materials remains largely unexplored and attracts much attention. Although graphene is not a superconductor, adsorption of alkali metals on its surface may enhance electron-phonon coupling (EPC) sufficiently to induce superconductivity. Here, using photoemission spectroscopy, the authors study the electronic structure and EPC in a Li-doped graphene monolayer weakly bonded to a cobalt substrate. It is shown that EPC is high enough to create superconductivity in graphene, however the nonmagnetic graphene layer is clamped between two oppositely magnetized atomic layers. This condition makes the studied system a promising platform for understanding the influence of magnetic environment on superconductivity at low dimensions.

[Phys. Rev. B 97, 085132] Published Wed Feb 21, 2018
High Activity of Au/K/TiO2(110) for CO Oxidation: Alkali-Metal-Enhanced Dispersion of Au and Bonding of CO
Direct Formation of C−C Triple-Bonded Structural Motifs by On-Surface Dehalogenative Homocouplings of Tribromomethyl-Substituted Arenes
Abstract
On-surface synthesis shows significant potential in constructing novel nanostructures/nanomaterials, which has been intensely studied in recent years. The formation of acetylenic scaffolds provides an important route to the fabrication of emerging carbon nanostructures, including carbyne, graphyne, and graphdiyne, which feature chemically vulnerable sp-hybridized carbon atoms. Herein, we designed and synthesized a tribromomethyl-substituted compound. By using a combination of high-resolution scanning tunneling microscopy, non-contact atomic force microscopy, and density functional theory calculations, we demonstrated that it is feasible to convert these compounds directly into C−C triple-bonded structural motifs by on-surface dehalogenative homocoupling reactions. Concurrently, sp3-hybridized carbon atoms are converted into sp-hybridized ones, that is, an alkyl group is transformed into an alkynyl moiety. Moreover, we achieved the formation of dimer structures, one-dimensional molecular wires, and two-dimensional molecular networks on Au(111) surfaces, which should inspire further studies towards two-dimensional graphyne structures.
Tribromomethyl-substituted arenes were directly converted into C−C triple-bonded structural motifs by on-surface dehalogenative homocoupling reactions, as confirmed by a combination of high-resolution scanning tunneling microscopy, non-contact atomic force microscopy, and density functional theory calculations. Concurrently, sp3-hybridized carbon atoms state are converted into sp-hybridized ones.
Frontispiece: Charge Control in Model Catalysis: The Decisive Role of the Oxide–Nanoparticle Interface
Inducing or steering a chemical reaction by controlling the charge is a key aspect in catalysis. The charge flow at an oxide–metal interface is of paramount importance for a successful catalytic reaction. Scanning probe investigations of such an interface reveal a two-dimensional Au particle of one monolayer height and a diameter of 6 nm residing on a magnesium oxide film, the same Au raft after adsorption of CO2 at its rim, the high localization of electron density at the negatively charged cluster rim, and the change in energy of the first quantum well states on CO2 adsorption. For more details, see the Minireview by H.-J. Freund et al. on page 2317 ff..
Se–C Cleavage of Hexane Selenol at Steps on Au(111)
Antiferromagnetic spintronics
Author(s): V. Baltz, A. Manchon, M. Tsoi, T. Moriyama, T. Ono, and Y. Tserkovnyak
Spintronics utilizing antiferromagnetic materials has potential for the next generation of applications and offers opportunities for new ideas. Ultimately, antiferromagnets could replace ferromagnets as the active spin-dependent element on which spintronic devices are based. Central to this endeavor is the need for predictive models, relevant disruptive materials, and new experimental designs. This paper reviews spintronic effects described based on theoretical and experimental analysis of antiferromagnetic materials.

[Rev. Mod. Phys. 90, 015005] Published Thu Feb 15, 2018
Stabilizing and Organizing Bi3Cu4 and Bi7Cu12 Nanoclusters in Two-Dimensional Metal-Organic Networks
Multinuclear heterometallic nanoclusters with controllable stoichiometry and structure are anticipated to possess promising catalytic, magnetic, and optical properties. Here we demonstrate that heterometallic nanoclusters with precise stoichiometry of Bi3Cu4 and Bi7Cu12 can be stabilized in the scaffold of two-dimensional metal-organic networks on a Cu(111) surface through on-surface metallosupramolecular self-assembly processes. The atomic structures of the nanoclusters were resolved using scanning tunnelling microscopy and density functional theory calculations. The nanoclusters feature highly symmetric planar hexagonal shapes and core-shell charge modulation. The clusters are arranged as triangular lattices with a periodicity that can be tuned by choosing molecules of different size. This work shows that on-surface metallosupramolecular self-assembly creates unique possibilities for the design and synthesis of multinuclear heterometallic nanoclusters.
Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement
[ASAP] Ferroelectric Control of the Spin Texture in GeTe
Structural and Bonding Characteristics of Potassium-Doped p-Terphenyl Superconductors
Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm
Author(s): J. I. Colless, V. V. Ramasesh, D. Dahlen, M. S. Blok, M. E. Kimchi-Schwartz, J. R. McClean, J. Carter, W. A. de Jong, and I. Siddiqi
Excited-state energies of the hydrogen molecule have been calculated using a two-qubit quantum computer.

[Phys. Rev. X 8, 011021] Published Mon Feb 12, 2018
Reversibility and intermediate steps as key tools for the growth of extended ordered polymers via on-surface synthesis
Superconducting monolayer deposited on substrate: Effects of the spin-orbit coupling induced by proximity effects
Author(s): Andrzej Ptok, Karen Rodríguez, and Konrad Jerzy Kapcia
Spin-orbit coupling can lead to exotic states of matter and unexpected behavior of the system properties. In this paper, we investigate the influence of spin-orbit coupling induced by proximity effects on a monolayer of superconductor (with s-wave or d-wave pairing) placed on an insulating bulk. We ...
[Phys. Rev. Materials 2, 024801] Published Thu Feb 08, 2018
Magneto-Spin–Orbit Graphene: Interplay between Exchange and Spin–Orbit Couplings
Domain walls and Dzyaloshinskii-Moriya interaction in epitaxial Co/Ir(111) and Pt/Co/Ir(111). (arXiv:1802.01975v1 [cond-mat.mes-hall])
We use spin-polarized scanning tunneling microscopy and density functional theory (DFT) to study domain walls (DWs) and the Dzyaloshinskii-Moriya interaction (DMI) in epitaxial films of Co/Ir(111) and Pt/Co/Ir(111). Our measurements reveal DWs with fixed rotational sense on one monolayer of Co on Ir, with a wall width around 2.7 nm. With Pt islands on top, we observe that the DWs occur mostly in the uncovered Co/Ir areas, suggesting that the wall energy density is higher in the Pt/Co/Ir(111). From DFT we find an interfacial DMI that stabilizes N\'{e}el-type DWs with clockwise rotational sense. The calculated DW widths are in good agreement with the experimental observations. The total DMI nearly doubles from Co/Ir(111) to Pt/Co/Ir(111), however, in the latter case the DMI is almost entirely due to the Pt with only a minor Ir contribution. Therefore a simple additive effect, where both interfaces contribute significantly to the total DMI, is not observed for one atomic Co layer.
Hierarchical On-Surface Synthesis of Graphene Nanoribbon Heterojunctions
Moir\'e structure of MoS$_2$ on Au(111): Local structural and electronic properties. (arXiv:1802.01380v2 [cond-mat.mes-hall] UPDATED)
Monolayer islands of molybdenum disulfide (MoS$_2$) on Au(111) form a characteristic moir\'e structure, leading to locally different stacking sequences at the S-Mo-S-Au interface. Using low-temperature scanning tunneling microscopy (STM) and atomic force microscopy (AFM), we find that the moir\'e islands exhibit a unique orientation with respect to the Au crystal structure. This indicates a clear preference of MoS$_2$ growth in a regular stacking fashion. We further probe the influence of the local atomic structure on the electronic properties. Differential conductance spectra show pronounced features of the valence band and conduction band, some of which undergo significant shifts depending on the local atomic structure. We also determine the tunneling decay constant as a function of the bias voltage by a height-modulated spectroscopy method. This allows for an increased sensitivity of states with non-negligible parallel momentum $k_\parallel$ and the identification of the origin of the states from different areas in the Brillouin zone.
Electrofluorochromism at the single molecule level. (arXiv:1802.00764v2 [cond-mat.mes-hall] UPDATED)
The interplay between the oxidation state and the optical properties of molecules plays a key role for applications in displays, sensors or molecular-based memories. The fundamental mechanisms occurring at the level of a single-molecule have been difficult to probe. We used a scanning tunneling microscope (STM) to characterize and control the fluorescence of a single Zn-phthalocyanine radical cation adsorbed on a NaCl-covered Au(111) sample. The neutral and oxidized states of the molecule were identified on the basis of their fluorescence spectra that revealed very different emission energies and vibronic fingerprints. The emission of the charged molecule was controlled by tuning the thickness of the insulator and the plasmons localized at the apex of the STM tip. In addition, sub-nanometric variations of the tip position were used to investigate the charging and electroluminescence mechanisms.
Probing optically silent superfluid stripes in cuprates
Unconventional superconductivity in the cuprates coexists with other types of electronic order. However, some of these orders are invisible to most experimental probes because of their symmetry. For example, the possible existence of superfluid stripes is not easily validated with linear optics, because the stripe alignment causes interlayer superconducting tunneling to vanish on average. Here we show that this frustration is removed in the nonlinear optical response. A giant terahertz third harmonic, characteristic of nonlinear Josephson tunneling, is observed in La1.885Ba0.115CuO4 above the transition temperature Tc = 13 kelvin and up to the charge-ordering temperature Tco = 55 kelvin. We model these results by hypothesizing the presence of a pair density wave condensate, in which nonlinear mixing of optically silent tunneling modes drives large dipole-carrying supercurrents.
Polarity compensation mechanisms on the perovskite surface KTaO3(001)
The stacking of alternating charged planes in ionic crystals creates a diverging electrostatic energy—a "polar catastrophe"—that must be compensated at the surface. We used scanning probe microscopies and density functional theory to study compensation mechanisms at the perovskite potassium tantalate (KTaO3) (001) surface as increasing degrees of freedom were enabled. The as-cleaved surface in vacuum is frozen in place but immediately responds with an insulator-to-metal transition and possibly ferroelectric lattice distortions. Annealing in vacuum allows the formation of isolated oxygen vacancies, followed by a complete rearrangement of the top layers into an ordered pattern of KO and TaO2 stripes. The optimal solution is found after exposure to water vapor through the formation of a hydroxylated overlayer with ideal geometry and charge.
Observation of chiral phonons
Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing.
Is quantum mechanics creationism, and not science?. (arXiv:1802.00227v7 [physics.hist-ph] UPDATED)
I revisit the reply of Bohr to Einstein. Bohr's assertion that there are no causes in atomic scale systems is, as a closer analysis reveals, not in line with the Copenhagen interpretation since it would contain a statement about reality. What Bohr should have written is that there are no causes in mathematics, which is universally acknowledged. The law of causality requires physical effects to be due to physical causes. For this reason any theoretical model which replaces physical causes by mathematical objects is creationism, that is, it creates physical objects out of mathematical elements. I show that this is the case for most of quantum mechanics.
Evaluation of the Giant Ferromagnetic π–d Interaction in Iron-Phthalocyanine Molecule
Supramolecular Approach for Enhancing Single-Molecule Magnet Properties of Terbium(III)-Phthalocyaninato Double-Decker Complexes with Crown Moieties
A TbIII-phthalocyaninato double-decker ([1]0) single-molecule magnet (SMM) with four 15-crown-5 moieties in one of the ligands was synthesized, and its dimerization by K+ recognition and magnetic properties were studied to utilize the supramolecular aggregation for enhancing the SMM properties. The area of the magnetic hysteresis became larger for [12K4]4+, meaning that SMM properties of [12K4]4+ are superior to those of [1]0. Magnetic relaxation times at 2 K increased 1000-fold upon dimerization of [1]0 to [12K4]4+, demonstrating the effectiveness of using K+ ion-induced dimer formation to improve the SMM properties. More information can be found in the Full Paper by K. Katoh, M. Yamashita et al. (DOI: 10.1002/chem.201705378).
Oxidization stability of atomically precise graphene nanoribbons
Author(s): Chuanxu Ma, Zhongcan Xiao, Alex A. Puretzky, Arthur P. Baddorf, Wenchang Lu, Kunlun Hong, J. Bernholc, and An-Ping Li
The stability of graphene nanoribbons (GNRs) against oxidation is critical for their practical applications. Here we study both the thermal stability and the oxidation process of the ambient-exposed armchair GNRs with a width of seven carbon atoms (7-aGNR), grown on an Au(111) surface. The atomic sc...
[Phys. Rev. Materials 2, 014006] Published Wed Jan 31, 2018
Real-Space Observation of Skyrmionium in a Ferromagnet-Magnetic Topological Insulator Heterostructure
Integrated circuits based on conjugated polymer monolayer
Integrated circuits based on conjugated polymer monolayer
Integrated circuits based on conjugated polymer monolayer, Published online: 31 January 2018; doi:10.1038/s41467-017-02805-5
Polymer monolayer field-effect transistors hold promise for faster circuits, but their performance is currently limited by the polymer packing disorder. Li et al. pre-aggregate polymers in a solution to achieve high carrier mobility of 3 cm2 V−1s−1 in monolayers and utilize them in integrated circuits.








