Steppe woodlands with Tatarian Maple (Aceri tatarici-Quercetum pubescentis-roboris) on the great Hungarian plain and its neighbourhood. An unfinished synthesis with supplementary notes

This paper presents the so far only partially published research material of the late Bálint Zólyomi on one of his major fields of interest, the forest steppe vegetation. The phytosociological tables presented here were found in his bequest indicating that he was going to publish a grand synthesis on this topic, which, however, has not come true. Since no written text accompanied the original tables, a historical overview and a short explanation to the tables are also provided

Diffusion quantum Monte Carlo and GW study of the electronic properties of monolayer and bulk hexagonal boron nitride

© 2020 American Physical Society. We report diffusion quantum Monte Carlo (DMC) and many-body GW calculations of the electronic band gaps of monolayer and bulk hexagonal boron nitride (hBN). We find the monolayer band gap to be indirect. GW predicts much smaller quasiparticle gaps at both the single-shot G0W0 and the partially self-consistent GW0 levels. In contrast, solving the Bethe-Salpeter equation on top of the GW0 calculation yields an exciton binding energy for the direct exciton at the K point in close agreement with the DMC value. Vibrational renormalization of the electronic band gap is found to be significant in both the monolayer and the bulk. Taking vibrational effects into account, DMC overestimates the band gap of bulk hBN, while GW theory underestimates it

Doped carbon nanotubes as a model system of biased graphene

Albeit difficult to access experimentally, the density of states (DOS) is a key parameter in solid state systems which governs several important phenomena including transport, magnetism, thermal, and thermoelectric properties. We study DOS in an ensemble of potassium intercalated single-wall carbon nanotubes (SWCNT) and show using electron spin resonance spectroscopy that a sizeable number of electron states are present, which gives rise to a Fermi-liquid behavior in this material. A comparison between theoretical and the experimental DOS indicates that it does not display significant correlation effects, even though the pristine nanotube material shows a Luttinger-liquid behavior. We argue that the carbon nanotube ensemble essentially maps out the whole Brillouin zone of graphene thus it acts as a model system of biased graphene

Fine-tuning the functional properties of carbon nanotubes via the interconversion of encapsulated molecules

Tweaking the properties of carbon nanotubes is a prerequisite for their practical applications. Here we demonstrate fine-tuning the electronic properties of single-wall carbon nanotubes via filling with ferrocene molecules. The evolution of the bonding and charge transfer within the tube is demonstrated via chemical reaction of the ferrocene filler ending up as secondary inner tube. The charge transfer nature is interpreted well within density functional theory. This work gives the first direct observation of a fine-tuned continuous amphoteric doping of single-wall carbon nanotubes

Electron spin resonance signal of Luttinger liquids and single-wall carbon nanotubes

A comprehensive theory of electron spin resonance (ESR) for a Luttinger liquid (LL) state of correlated metals is presented. The ESR measurables such as the signal intensity and the line-width are calculated in the framework of Luttinger liquid theory with broken spin rotational symmetry as a function of magnetic field and temperature. We obtain a significant temperature dependent homogeneous line-broadening which is related to the spin symmetry breaking and the electron-electron interaction. The result crosses over smoothly to the ESR of itinerant electrons in the non-interacting limit. These findings explain the absence of the long-sought ESR signal of itinerant electrons in single-wall carbon nanotubes when considering realistic experimental conditions.Comment: 5 pages, 1 figur

Ultralong 100 ns spin relaxation time in graphite at room temperature

Graphite has been intensively studied, yet its electron spins dynamics remains an unresolved problem even 70 years after the first experiments. The central quantities, the longitudinal (T1) and transverse (T2) relaxation times were postulated to be equal, mirroring standard metals, but T1 has never been measured for graphite. Here, based on a detailed band structure calculation including spin-orbit coupling, we predict an unexpected behavior of the relaxation times. We find, based on saturation ESR measurements, that T1 is markedly different from T2. Spins injected with perpendicular polarization with respect to the graphene plane have an extraordinarily long lifetime of 100 ns at room temperature. This is ten times more than in the best graphene samples. The spin diffusion length across graphite planes is thus expected to be ultralong, on the scale of ~ 70 μm, suggesting that thin films of graphite — or multilayer AB graphene stacks — can be excellent platforms for spintronics applications compatible with 2D van der Waals technologies. Finally, we provide a qualitative account of the observed spin relaxation based on the anisotropic spin admixture of the Bloch states in graphite obtained from density functional theory calculation

The surface energy and stress of metals

We investigated surface properties of metals by performing first-principles calculations. A systematic database was established for the surface relaxation, surface energy (gamma), and surface stress (tau) for metallic elements in the periodic table. The surfaces were modeled by multi-layered slab structures along the direction of low-index surfaces. The surface energy gamma of simple metals decreases as the atomic number increases in a given group, while the surface stress tau has its minimum in the middle. The transition metal series show parabolic trends for both gamma and tau with a dip in the middle. The dip occurs at half-band filling due to a long-range Friedel oscillation of the surface charge density, which induces a strong stability to the Peierls-like transition. In addition, due to magnetic effects, the dips in the 3d metal series are shallower and deeper for gamma and tau respectively, than those of the 4d and 5d metals. The surface stress of the transition metals is typically positive, only Cr and Mn have a negative tau for the (100) surface facet, indicating that they are under compression. The light actinides have an increasing gamma trend according to the atomic number. The present work provides a useful and consistent database for the theoretical modelling of surface phenomena