| Download | - View supplementary information: Liquid-liquid phase transitions in silicon (PDF, 276 KiB)
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| DOI | Resolve DOI: https://doi.org/10.1103/PhysRevLett.125.075702 |
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| Author | Search for: Dharma-Wardana, M. W. C.1ORCID identifier: https://orcid.org/0000-0001-8987-9071; Search for: Klug, Dennis D.1; Search for: Remsing, Richard C.ORCID identifier: https://orcid.org/0000-0002-0922-4882 |
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| Affiliation | - National Research Council of Canada. Security and Disruptive Technologies
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| Format | Text, Article |
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| Abstract | We use computationally simple neutral pseudoatom (“average atom”) density functional theory (DFT) and standard DFT to elucidate liquid-liquid phase transitions (LPTs) in liquid silicon. An ionization-driven transition and three LPTs including the known LPT near 2.5 g/cm³ are found. They are robust even to 1 eV. The pair distributions functions, pair potentials, electrical conductivities, and compressibilites are reported. The LPTs are elucidated within a Fermi liquid picture of electron scattering at the Fermi energy that complements the transient covalent bonding picture. |
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| Publication date | 2020-08-11 |
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| Publisher | American Physical Society |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 7af91da7-92e1-4bac-b16c-00e57b11c05a |
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| Record created | 2021-05-25 |
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| Record modified | 2021-09-22 |
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