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Structure of levitated Si-Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations

Pozdnyakova, I. and Roik, Oleksandr and Drewitt, James W. E. and Bytchkov, A. and Kargl, Florian and Jahn, S. and Brassamin, Severine and Hennet, L (2021) Structure of levitated Si-Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations. Journal of Physics - Condensed Matter, 33 (24), p. 244002. Institute of Physics (IOP) Publishing. doi: 10.1088/1361-648X/abf593. ISSN 0953-8984.

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Official URL: https://iopscience.iop.org/article/10.1088/1361-648X/abf593


The short-range order in liquid Si, Ge and binary Six-Ge1-x alloys (x = 0.25, 0.50, 0.75) was studied by x-ray diffraction and reverse Monte Carlo simulations. Experiments were performed in the normal and supercooled liquid states by using the containerless technique of aerodynamic levitation with CO2 laser heating, enabling deeper supercooling of liquid Si and Si-Ge alloys than previously reported. The local atomic structure of liquid Si and Ge resembles the beta-tin structure. The first coordination numbers of about 6 for all compositions are found to be independent of temperature indicating the supercooled liquids studied retain this high-density liquid (HDL) structure. However, there is evidence of developing local tetrahedral ordering, as manifested by a shoulder on the right side of the first peak in S(Q) which becomes more prominent with increasing supercooling. This result is potentially indicative of a continuous transition from the stable HDL beta-tin (high pressure) phase, towards a metastable low-density liquid phase, reminiscent of the diamond (ambient pressure) structure.

Item URL in elib:https://elib.dlr.de/143208/
Document Type:Article
Title:Structure of levitated Si-Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations
AuthorsInstitution or Email of AuthorsAuthor's ORCID iDORCID Put Code
Pozdnyakova, I.CNRS-Conditions Extremes et Materiaux, FrankreichUNSPECIFIEDUNSPECIFIED
Roik, OleksandrNational Taras Shevchenko University of Kyivhttps://orcid.org/0000-0001-9705-1100UNSPECIFIED
Drewitt, James W. E.School of Physics, University of Bristolhttps://orcid.org/0000-0002-3510-4155UNSPECIFIED
Kargl, FlorianInstitut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln, Germanyhttps://orcid.org/0000-0001-9902-0420UNSPECIFIED
Jahn, S.Institute of Geology and Mineralogy, University of Colognehttps://orcid.org/0000-0002-2137-8833UNSPECIFIED
Hennet, LCEMHTI-CNRS, Orleans, Francehttps://orcid.org/0000-0002-2992-4800UNSPECIFIED
Date:14 May 2021
Journal or Publication Title:Journal of Physics - Condensed Matter
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:Yes
Page Range:p. 244002
Publisher:Institute of Physics (IOP) Publishing
Keywords:aerodynamic levitation, liquid semiconductors, synchrotron X-ray diffraction, liquid-liquid transition, Reverse Monte Carlo modelling
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Research under Space Conditions
DLR - Research area:Raumfahrt
DLR - Program:R FR - Research under Space Conditions
DLR - Research theme (Project):R - Material Design and New Materials
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space > Scientific Experiments MP
Deposited By: Kargl, Dr Florian
Deposited On:19 Jul 2021 10:02
Last Modified:19 Jul 2021 10:02

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