Related papers: Tuning fulleride electronic structure and molecula…
Understanding the spin-texture behavior of boundary modes in ultrathin topological insulator films is critically essential for the design and fabrication of functional nano-devices. Here by using spin-resolved photoemission spectroscopy…
The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a super lattice, called a moir\'e pattern, which can alter…
The trivalent alkali fullerides A$_3$C$_{60}$, where C$_{60}$ are a well established family of molecular superconductors. The electron pairing has s-wave symmetry and is due to standard electron-phonon coupling, in particular by Jahn-Teller…
Magnetic skyrmions are localized, topologically protected spin-structures that have been proposed for storing or processing information due to their intriguing dynamical and transport properties. Important in terms of applications is the…
Scanning tunneling microscopy and spectroscopy have been used to investigate the femtosecond dynamics of Dirac fermions in the topological insulator Bi$_2$Se$_3$ ultrathin films. At two-dimensional limit, bulk electrons becomes quantized…
Polyoxometalates form a large family of molecular oxide clusters of the early transition metals with unique and tunable properties (multi-redox, thermal and chemical robustness, magnetic). We review more than 30 years of experimental…
Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…
On the basis of a first-principles electronic structure theory of finite temperature metallic magnetism in layered materials, we investigate the onset of magnetic order in thin (2-8 layers) fcc-Fe films on Cu(100) substrates. The nature of…
Topological Insulators (TIs) present an interesting materials platform for nanoscale, high frequency devices because they support high mobility, low scattering electronic transport within confined surface states. However, a robust…
The metal-semiconductor transition of peanut-shaped fullerene (C$_{60}$) polymers is clarified by considering the electron-phonon coupling in the uneven structure of the polymers. We established a theory that accounts for the transition…
Novel quantum phenomena, including high-temperature superconductivity, topological properties, and charge/spin density waves, appear in low-dimensional conductive materials. It is possible to artificially create low-dimensional systems by…
This article summarizes recent work on the many-body (beyond density functional theory) electronic structure of layered rare-earth nickelates, both in the context of the materials themselves and in comparison to the high-temperature…
Fullerenes, including \ce{C60} and \ce{C70}, have been detected in various astronomical environments. Understanding how their structures evolve over time is essential for gaining insights into their life cycle and making further…
Fullerenes have several advantages as potential materials for organic spintronics. Through a theoretical first-principles study, we report that fullerene C$_{60}$ adsorption can induce a magnetic reconstruction in a Ni(111) surface and…
The two-dimensional polymer structure and lattice dynamics of the superionic conductor Li4 C60 are investigated by neutron diffraction and spectroscopy. The peculiar bonding architecture of this compound is definitely confirmed through the…
Moire superlattices of transition metal dichalcogenide (TMD) bilayers have been shown to host correlated electronic states, which arises from the interplay of emergent moire potential and long-range Coulomb interactions. Here we…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
Moire engineering in two-dimensional transition metal dichalcogenides enables access to correlated quantum phenomena. Realizing such effects demands simultaneous control over twist angle and material composition to modulate phonons,…
Cooper-pair density modulation (CPDM) states are superconducting phases in which the order parameter varies periodically in real space without breaking translational symmetry. Recently, moire superlattices in layered materials have emerged…
Two-dimensional (2D) ferroelectric materials provide a promising platform for the electrical control of quantum states. In particular, due to their 2D nature, they are suitable for influencing the quantum states of deposited molecules via…