The study of liquid germanium structure

Davidović, M.; Stojić, M.; Jovič, D.

doi:10.1088/0022-3719/16/11/008

Cited by 28 publications

(10 citation statements)

References 18 publications

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“…Our values agree well with reported values determined by neutron and x-ray diffraction [17,18,[50][51][52][53]. However, the reported results of x-ray diffraction measurements at T = 1253 K [54] gave slightly larger d NN values as compared with our neutron data.…”

Section: Diffraction Studies On Liquid Ge and Ge 80 Si 20supporting

confidence: 92%

Short-range order and atomic diffusion in liquid Ge and Si20Ge80 investigated by neutron scattering and x-ray diffraction

et al. 2021

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We studied structure and dynamics in liquid Ge and Si 20 Ge 80 . Quasielastic neutron scattering (QNS) was employed to accurately determine the Ge self-diffusion coefficient. Static structure factors were measured using neutron and x-ray diffraction. Containerless processing via electromagnetic levitation (EML) enabled to obtain structure factors over a broad temperature range from the metastable regime of the undercooled melt to several hundred Kelvin above the melting point. Moreover, isotopic substitution and combination with x-ray diffraction allowed to determine the partial structure factors S NN (q), S NC (q), S GeGe (q), and S GeSi (q) for liquid Si 20 Ge 80 . The topological structures of liquid Ge and Si 20 Ge 80 are very similar. In addition, the Ge self-diffusion coefficients in liquid Ge and Si 20 Ge 80 are equal within error limits.

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Section: Diffraction Studies On Liquid Ge and Ge 80 Si 20supporting

confidence: 92%

Short-range order and atomic diffusion in liquid Ge and Si20Ge80 investigated by neutron scattering and x-ray diffraction

et al. 2021

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“…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].…”

Section: Introductionmentioning

confidence: 99%

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

Greenberg

Yahel

Caspi

et al. 2010

The Journal of Chemical Physics

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The sound velocity of some liquid elements of groups IV, V, and VI, as reported in the literature, displays anomalous features that set them apart from other liquid metals. In an effort to determine a possible common origin of these anomalies, extensive neutron diffraction measurements of liquid Bi and Sb were carried out over a wide temperature range. The structure factors of liquid Sb and Bi were determined as a function of temperature. The structure of the two molten metals was carefully analyzed with respect to peak locations, widths, and coordination numbers in their respective radial distribution function. The width of the peaks in the radial distribution functions was not found to increase and even decreased within a certain temperature range. This anomalous temperature dependence of the peak widths correlates with the anomalous temperature dependence of the sound velocity. This correlation may be accounted for by increased rigidity of the liquid structure with temperature. A phenomenological correlation between the peak width and the sound velocity is suggested for metallic melts and is found to agree with available data for normal and anomalous elemental liquids in groups IV-VI.

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“…The two-state model of the liquid state in silicon is supported by classical and ab initio molecular dynamics ͑MD͒ simulations 11,20,21 and x-ray scattering experiments on Si ͑and Ge͒ as a function of the temperature at ambient pressure, 15,22,23 as well as MD simulations at high pressure and temperature. [24][25][26] Figure 1 shows a region of the silicon phase diagram highlighting the stable thermodynamic transitions ͑generated using a Stillinger-Weber potential model 27 ͒ along with the metastable LDA and HDA fields calculated from a two-state model using values for the respective enthalpy, entropy and volume changes of ⌬H = 23.24 kJ mol −1 , ⌬S = 22.0 J mol −1 K −1 and ⌬V = −1.2ϫ 10 −6 m 3 .…”

Section: Introductionmentioning

confidence: 99%

High-pressure x-ray scattering and computer simulation studies of density-induced polyamorphism in silicon

et al. 2007

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Wilson, M., Wilding, M. C., Daisenberger, D., Machon, D., Cabrera, R. Q. (2007). High-pressure x-ray scattering and computer simulation studies of density-induced polyamorphism in silicon. Physical Review B: Condensed Matter and Materials Physics, 75 (22). Sponsorship: ESRFA low- to high-density pressure-driven phase transition in amorphous silicon is investigated by synchrotron x-ray diffraction in the diamond anvil cell. Complementary atomistic molecular dynamics computer simulations provide insight into the underlying structural transformations and allow us to interpret the structure factors obtained from experiment. During compression the form of the scattering function S(Q) changes abruptly at 13.5 GPa, indicating significant structural rearrangement in the amorphous solid. In particular, the first peak in S(Q) shifts to larger Q values. The changes are correlated with the occurrence of a low- to high-density (LDA-HDA) polyamorphic transition observed previously using Raman scattering and electrical conductivity measurements. The data are analyzed to provide real space (pair distribution function) information. The experimental data are compared with results from molecular dynamics (MD) simulations using a modified Stillinger-Weber many-body potential energy function in order to extract structural information on the densified amorphous material. We deduce that the polyamorphic transition involves an abrupt increase in the proportion of 5- and 6-coordinate Si atoms. The overall structure of the HDA polyamorph can be related to that of the LDA form by creation of highly-coordinated "defects" within the tetrahedrally-bonded LDA network. However classical and quantum MD simulations indicate that an even higher density amorphous state might exist, based on structures that resemble the densely-packed metallic polymorphs of crystalline Si.publishersversionPeer reviewe

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The study of liquid germanium structure

Cited by 28 publications

References 18 publications

Short-range order and atomic diffusion in liquid Ge and Si20Ge80 investigated by neutron scattering and x-ray diffraction

Short-range order and atomic diffusion in liquid Ge and Si20Ge80 investigated by neutron scattering and x-ray diffraction

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

High-pressure x-ray scattering and computer simulation studies of density-induced polyamorphism in silicon

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