Search results for "Van der Waals force"
showing 10 items of 170 documents
Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study
2020
First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a [Formula: see text]-[Formu…
Secondary relaxation in the glass-transition regime of ortho-terphenyl observed by incoherent neutron scattering.
1992
We report on incoherent-neutron-scattering measurements in the supercooled regime of the van der Waals liquid ortho-terphenyl. A secondary localized relaxational process on the picosecond time scale is found. In accordance with mode-coupling theories of the glass transition, the relaxational dynamics around a critical temperature ${\mathit{T}}_{\mathit{c}}$ decomposes into two time regimes.
Thermodynamic and neutron diffraction studies of the nucleation of solid4He on graphite
1982
The nucleation of solid layers of4He on the surface of exfoliated graphite (Grafoil) was investigated by thermodynamic and neutron diffraction measurements. The thermodynamic measurements consisted of recording isopycnals in the vicinity of the melting curve. The isopycnals show a rounding in comparison to the bulk ones, which can be explained by a continuous solidification of4He on the surface of graphite in a layer-by-layer mode in the van der Waals field of the substrate. Moreover, we found a hysteresis behavior of the isopycnals, probably due to defect states in the solidified film. The thickness of the solid film is estimated by means of a simple solidification model. The neutron diffr…
Localized Motion in Supercooled Glycerol as Measured by 2 H-NMR Spin-Lattice Relaxation and Incoherent Neutron Scattering
1991
Selectively deuterated glycerol has been subjected to 2H-NMR spin-lattice relaxation and quasi-elastic neutron scattering experiments. The measurements yield relaxation rates and a non-Gaussian Q-dependence of the Debye-Waller factor which are different for the two hydrogen sites. The data analysis shows that below the onset of the glass transition α-process the hydrogens perform a local motion (≈ 10-12 s) in addition to what is expected from harmonic phonons. The resulting mean-square displacements are highly temperature dependent but are significantly smaller than those found in van der Waals glasses. Amplitudes and activation energies of the carbon-bonded and oxygen-bonded hydrogens are …
Electronic structure, lattice dynamics, and optical properties of a novel van der Waals semiconductor heterostructure: InGaSe2
2017
There is a growing interest in the property dependence of transition metal dichalcogenides as a function of the number of layers and formation of heterostructures. Depending on the stacking, doping, edge effects, and interlayer distance, the properties can be modified, which opens the door to novel applications that require a detailed understanding of the atomic mechanisms responsible for those changes. In this work, we analyze the electronic properties and lattice dynamics of a heterostructure constructed by simultaneously stacking InSe layers and GaSe layers bounded by van der Waals forces. We have assumed the same space group of GaSe, $P\overline{6}m2$ as it becomes the lower energy conf…
Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
2018
Magnetic insulators are a key resource for next-generation spintronic and topological devices. The family of layered metal halides promises varied magnetic states, including ultrathin insulating multiferroics, spin liquids, and ferromagnets, but device-oriented characterization methods are needed to unlock their potential. Here, we report tunneling through the layered magnetic insulator CrI₃ as a function of temperature and applied magnetic field.We electrically detect the magnetic ground state and interlayer coupling and observe a fieldinducedmetamagnetic transition.The metamagnetic transition results in magnetoresistances of 95, 300, and 550% for bilayer, trilayer, and tetralayer CrI₃ bar…
Ultra-broad spectral photo-response in FePS3 air-stable devices
2021
Van der Waals materials with narrow energy gaps and efficient response over a broadband optical spectral range are key to widen the energy window of nanoscale optoelectronic devices. Here, we characterize FePS as an appealing narrow-gap p-type semiconductor with an efficient broadband photo-response, a high refractive index, and a remarkable resilience against air and light exposure. To enable fast prototyping, we provide a straightforward guideline to determine the thickness of few-layered FePS nanosheets extracted from the optical transmission characteristics of several flakes. The analysis of the electrical photo-response of FePS devices as a function of the excitation energy confirms a …
Mechanical and Thermal Stability of Adhesive Membranes with Nonzero Bending Rigidity
2010
Membranes at a microscopic scale are affected by thermal fluctuations and self-adhesion due to van der Waals forces. Methods to prepare membranes of even molecular scale, e.g., graphene, have recently been developed, and the question of their mechanical and thermal stability is of crucial importance. To this end we modeled microscopic membranes with an attractive interaction and applied Langevin dynamics. Their behavior was also analyzed under external loading. Even though these membranes folded during isotropic compression as a result of energy minimization, the process at high confinement was similar to crumpling of macroscopic nonadhesive sheets. The main difference appeared when the com…
Wetting of a short chain liquid on a brush: First-order and critical wetting transitions
2001
We investigate the wetting behaviour of short chains on a surface covered with a brush of end-grafted chains of the same architecture by a combination of self-consistent field calculations and liquid-state theory. The surface interacts with the monomers via (non-retarded) van der Waals interactions of strength A. At low grafting densities, we find first-order wetting transitions. The value of the effective Hamaker constant Awet > 0, at which the transition occurs, decreases and the strength of the first-order transition becomes weaker as we increase the grafting density. In an intermediate range of grafting densities, we encounter second-order wetting transitions at a vanishing Hamaker cons…
Series of charge transfer complexes obtained as crystals in a confined environment
2021
A series of charge transfer complexes (CTCs) were successfully formed by solvent free processing techniques, using the 1,2,4,5-tetracyano benzene (TCNB) as πA molecule and a series of p-dihydroquinones (H2Qs) as πD counterparts. Additionally to the classical co-evaporation techniques, we obtained CTCs in less than an hour, in a very simple confined environment, between two 100 μm – spaced glass plates. A systematical study by Raman spectroscopy on crystals highlighted the CTCs formation. Moreover, three new crystalline structures were obtained, namely TCNB-H2Q that crystallizes in columns connected to each other by H-bonds, while with the methoxy- and dimethoxy-H2Qs the CTC forms crystals w…