Related papers: Anisotropic Compression in Dimer C60 Fullerene Sol…
Elastic properties of soft, three-dimensional dimers, interacting through site-site n-inverse-power potential, are determined by computer simulations at zero temperature. The degenerate crystal of dimers exhibiting (Gaussian) size…
The compression behavior of delafossite compound CuCrO2 has been investigated by in-situ x-ray diffraction and Raman spectroscopic measurements upto 23.2 and 34 GPa respectively. X-ray diffraction data shows the stability of ambient…
The interfaces between organic molecules and metal surfaces with layered antiferromagnetic order have gained increasing interests in the field of antiferromagnetic spintronics. The C60 layered AFM spinterfaces have been studied for C60…
Organic semiconductor/ferromagnetic bilayer thin films can exhibit novel properties due to the formation of the spinterface at the interface. Buckminsterfullerene (C60) has been shown to exhibit ferromagnetism at the interface when it is…
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…
The thermal stability of C60 dimers and 2D pressure-polymerized C60 is studied using high-resolution capacitance dilatometry. The transformation of both the dimer and the polymer phases back to 'normal' C60 is excellently described by a…
We investigate the structure and mechanical behavior of assemblies of frictionless, nearly rigid equal-sized beads, in the quasistatic limit, by numerical simulation. Three different loading paths are explored: triaxial compression,…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…
Boron carbide is a ceramic material with unique properties widely used in numerous, including armor, applications. Its mechanical properties, mechanism of compression, and limits of stability are of both scientific and practical value.…
133Cs and 13C-NMR have been used to study the electronic properties of the polymerized phase of CsC60 at ambient and under hydrostatic pressure. The salient result of this study is the finding of fluctuations in the local field at 133Cs…
The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy…
Graphene has become in last decades a paradigmatic example of two-dimensional and so-called van-der-Waals layered materials, showing large anisotropy in their physical properties. Here we study the elastic properties and mechanical…
We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic and transport properties of more than one thousand 2D materials from the C2DB database. We identify hundreds of anisotropic materials and classify them…
We probe the effects of particle shape on the global and local behavior of a two-dimensional granular pillar, acting as a proxy for a disordered solid, under uniaxial compression. This geometry allows for direct measurement of global…
Atomically thin metallenes have properties attractive for applications, but they are intrinsically unstable and require delicate stabilization in pores or other nano-constrictions. Substrates provide solid support, but metallenes' wanted…
The structure of the quasi two dimensional heavy fermion antiferromagnet CeRhIn$_{5}$ has been investigated as a function of pressure up to 13 GPa using a diamond anvil cell under both hydrostatic and quasihydrostatic conditions at room…
The optical properties of C$_{60}$ single crystals, intercalated with nitrogen molecules, were investigated by the spectral-luminescence method in the temperature range 20 - 230 K. The saturation was carried out under the pressure of 30…
We present {\it ab initio} density-functional calculations of molecular solids formed from C$_{28}$-derived closed-shell fullerenes. Solid C$_{28}$H$_4$ is found to bind weakly and exhibits many of the electronic structure features of solid…
The polymer dynamics of homogeneous C$_{60}$-polystyrene mixtures in the molten state are studied via molecular simulations using two interconnected levels of representation for polystyrene nanocomposites: (a) A coarse-grained…
Organic spintronics has drawn the interest of the science community due to various applications in spin-valve devices. But to date, an efficient room-temperature Organic Spin Valve device has not been experimentally realized due to the…