The structure of liquid Sb under pressure

On the relation between the microscopic structure and the sound velocity anomaly in elemental melts of groups IV, V, and VI

“…The coordination numbers found at the melting temperature for l-Bi were 8.0 in the first shell and 10.3 in the shoulder, in good agreement with previously published data [19,29,46]. The coordination numbers found for l-Sb were 6.6 for the first shell and 10.2 for the shoulder in good agreement with previously published data [13,27,44]. The coordination number in the metallic pnictides increases along the series from approximately 3 in As, through 6 in Sb [44] to 8 in Bi.…”

“…A similar phenomenon can be observed in l-As under pressure. [27,44] (ii) Peak widths measured by FWHM display non-monotonous temperature dependence, as shown in Figure 6. In particular, the 1 st peak has a constant width up to approximately 1200K at which point it begins to increase rapidly.…”

“…At the melting point of Sb, on the right hand side of the first peak in the radial distribution function, a hump is observed at approximately 4.15±0.03 Å as shown in Figure 2. The ratio of the radial position of this hump to that of the first peak is 1.36 and Page number 10 out of a total of 28 pages has been interpreted as indicating a distortion of a simple cubic-like structure of the liquid [27,44]. With increasing temperature, the radial position of the hump's maximum moves towards lower r values i.e.…”

“…In contrast, many liquid metals of groups IV to VI exhibit an anomalous temperature dependence of the thermo-physical properties above their melting point. The anomalies include: (i) non-monotonous behavior of the sound velocity [2,3,4,5,6,7,8,9,10]; (ii) melting curve anomalies [11]; (iii) deviation from the universal temperature dependence of the configurational entropy [12]; and (iv), the presence of a complex structure in the pair correlation function, specifically, an additional feature on the high angle side of the first hard-sphere peak [13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34].…”

Density functional study of structure and dynamics in liquid antimony and Sbn clusters

“…Topologically protected spin states could possibly lead to interesting electronic devices, and studies of layer structures related to the A7 bulk structure of group 15 elements include work on black P layers (phosphorene), 9 As monolayers, 10 layered crystalline (antimonene) phases, 11 the Sb(111) surface, 12 and a Bi(111) bilayer. 13 a) Electronic mail: r.jones@fz-juelich.de A variety of structural patterns and other properties have made group 15 elements attractive objects of study for many years, [14][15][16] and unusual features in the P T phase diagrams include liquid-liquid phase transitions at high T and P. [17][18][19][20][21][22] High pressures suppress the simple cubic to A7 transition in P, As, and Sb, 23 and inelastic neutron scattering (INS) measurements of the dynamical structure factor S(q, ω) near the melting point of Bi show evidence of collective density excitations. [24][25][26] In liquid Sb, both the change in the slope of the temperature dependence of the electrical resistivity ρ(T ) around 1000 K 27 and the unusual maximum in the sound velocity at 1168 K [28][29][30] suggest structural changes, and neutron scattering studies of the static structure factor and pair distribution function have been carried out.…”