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Formation of sp(3) ...
Formation of sp(3) hybridized bonds and stability of CaCO3 at very high pressure
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- Arapan, S. (författare)
- Uppsala universitet,Kondenserade materiens teori (Fysik IV)
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- De Almeida, J. S. (författare)
- Uppsala universitet,Kondenserade materiens teori (Fysik IV)
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- Ahuja, Rajeev (författare)
- Uppsala universitet,KTH,Materialvetenskap,Kondenserade materiens teori (Fysik IV)
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(creator_code:org_t)
- 2007
- 2007
- Engelska.
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 98:26
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- By performing ab initio electronic structure calculations, we observed a new high-pressure phase transition within the Pmcn structure of CaCO3. This transition is characterized by the change of the carbon's sp hybridization state and is driven by the intrinsic property of the carbon atom to form tetrahedral covalent bonds at high pressure. The formation of sp(3) hybridized bonds explains the stability of MgCO3 and CaCO3 at Earth's lower mantle pressure conditions and may serve as a criterion for searching new possible high-pressure phases of carbon bearing minerals.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- augmented-wave method
- earths core
- crystal-structure
- lower mantle
- carbon
- phase
- aragonite
- sediments
- Physics
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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