Universität zu Köln

Pozdnyakova, Irina, Roik, Oleksandr ORCID: 0000-0001-9705-1100, Drewitt, James W. E., Bytchkov, Aleksei, Kargl, Florian, Jahn, Sandro ORCID: 0000-0002-2137-8833, Brassamin, Severine and Hennet, Louis (2021). Structure of levitated Si-Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations. J. Phys.-Condes. Matter, 33 (24). BRISTOL: IOP PUBLISHING LTD. ISSN 1361-648X

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Abstract

The short-range order in liquid Si, Ge and binary Si- x -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 Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Pozdnyakova, Irina UNSPECIFIED UNSPECIFIED UNSPECIFIED Roik, Oleksandr UNSPECIFIED orcid.org/0000-0001-9705-1100 UNSPECIFIED Drewitt, James W. E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Bytchkov, Aleksei UNSPECIFIED UNSPECIFIED UNSPECIFIED Kargl, Florian UNSPECIFIED UNSPECIFIED UNSPECIFIED Jahn, Sandro UNSPECIFIED orcid.org/0000-0002-2137-8833 UNSPECIFIED Brassamin, Severine UNSPECIFIED UNSPECIFIED UNSPECIFIED Hennet, Louis UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-597547
DOI:	10.1088/1361-648X/abf593
Journal or Publication Title:	J. Phys.-Condes. Matter
Volume:	33
Number:	24
Date:	2021
Publisher:	IOP PUBLISHING LTD
Place of Publication:	BRISTOL
ISSN:	1361-648X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language LIQUID PHASE-TRANSITION; ELECTRONIC-PROPERTIES; SILICON; GERMANIUM; METALS; TEMPERATURE; SYNCHROTRON; RANGE; MODEL Multiple languages Physics, Condensed Matter Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/59754