High Pressure Studies on the Optical and Electronic Properties of Para -Terphenyl

Structural and Bonding Characteristics of Potassium-Doped p-Terphenyl Superconductors

“…The obtained crystal lattice parameters from vdW-DF2 functional are a = 13.569Å, b = 5.542Å, c = 7.911Å and the angle β = 92.8 • , respectively. Seen from the crystal lattice parameters listed in Table I, the vdW-DF2 functional products the lattice constants are in good agreement with experimental ones, though the small distinguish exists among those reported experimental observations [37][38][39][40][41] . The error is respectively controlled within 2.5% for the lattice constant and 4% for the volume.…”

Possible Fano resonance for high-Tc multi-gap superconductivity in p-Terphenyl doped by K at the Lifshitz transition

“…The stripes are not connected with the neighbor stripes also in the a-axis direction indicating the quasi one dimensional electronic structure of the stripes. The electronic structure of p-Terphenyl [24,37,38] confirms the presence of one dimensional electronic states in the conduction band. A portion of the electronic structure of the conduction band [37] is shown in the upper part of Fig.…”

“…Panel (A) shows the Brillouin zone (BZ) representation of the conduction band of the p-Terphenyl from Ref [37]…”

A new parameter for classification of polycyclic aromatic hydrocarbon crystalline motifs: a Hirshfeld surface investigation

“…The shortest cell axis then transitions into a new motif bracket while q remains uncharacteristic of that motif. 3,6,9,10 Table 3 lists several high pressure and low temperature PAH structures accompanied by their intermolecular interactions, motif assignment and q. It was observed that naphthalene undergoes no observable motif variation upon pressurization.…”

“…[6][7][8] Upon pressurization, the motif assignment of a PAH can change as its crystal defining axis (usually b) and q values adjust. In studies of several PAHs under pressure, 3,9,10 the shortening of b moves the PAH into a new motif bracket, but the pressurized crystal does not exhibit the motif's typical q distribution. In some cases, 3 Hirshfeld surfaces and topological analysis 11 have been employed to categorize the high pressure structures, defining variations in the intermolecular interactions between high and low pressure structures, but some ambiguity exists as to what motif transition occurred.…”