Sökning: WFRF:(Simak Sergei I. 1967 ) >
Formation and Polym...
Formation and Polymorphism of Semiconducting K2SiH6 and Strategy for Metallization
-
- Vekilova, Olga (författare)
- KTH,Kondenserade materiens teori,Department of Materials and Environmental Chemistry, Stockholm University, SE-10691 Stockholm, Sweden,Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.;AlbaNova Univ Ctr, Royal Inst Technol KTH, Dept Phys, Condensed Matter Theory, S-10691 Stockholm, Sweden.
-
- Beyer, Doreen C. (författare)
- Institute for Inorganic Chemistry, Leipzig University, Johannisallee 29, D-04103 Leipzig, Germany, Johannisallee 29,Univ Leipzig, Inst Inorgan Chem, D-04103 Leipzig, Germany.
-
- Bhat, Shrikant (författare)
- Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, D-22607 Hamburg, Germany, Notkestraße 85
-
visa fler...
-
- Farla, Robert (författare)
- Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, D-22607 Hamburg, Germany, Notkestraße 85
-
- Baran, Volodymyr (författare)
- Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, D-22607 Hamburg, Germany, Notkestraße 85
-
- Simak, Sergei I., 1967- (författare)
- Linköpings universitet,Uppsala universitet,Materialteori,Linköping Univ, Dept Phys Chem & Biol IFM, Theoret Phys Div, SE-58183 Linköping, Sweden,Teoretisk Fysik,Tekniska fakulteten,Uppsala Univ, Sweden
-
- Kohlmann, Holger (författare)
- Institute for Inorganic Chemistry, Leipzig University, Johannisallee 29, D-04103 Leipzig, Germany, Johannisallee 29,Univ Leipzig, Inst Inorgan Chem, D-04103 Leipzig, Germany.
-
- Häussermann, Ulrich (författare)
- Department of Materials and Environmental Chemistry, Stockholm University, SE-10691 Stockholm, Sweden,Stockholm Univ, Dept Mat & Environm Chem, SE-10691 Stockholm, Sweden.
-
- Spektor, Kristina (författare)
- Institute for Inorganic Chemistry, Leipzig University, Johannisallee 29, D-04103 Leipzig, Germany, Johannisallee 29; Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, D-22607 Hamburg, Germany, Notkestraße 85,Univ Leipzig, Inst Inorgan Chem, D-04103 Leipzig, Germany.;Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany.
-
visa färre...
-
(creator_code:org_t)
- American Chemical Society (ACS), 2023
- 2023
- Engelska.
-
Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 62:21, s. 8093-8100
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
https://urn.kb.se/re...
-
https://urn.kb.se/re...
-
visa färre...
Abstract
Ämnesord
Stäng
- K2SiH6, crystallizing in the cubic K2PtCl6structure type (Fm3¯ m), features unusual hypervalent SiH62-complexes. Here, the formation of K2SiH6at high pressures is revisited by in situ synchrotron diffraction experiments, considering KSiH3as a precursor. At the investigated pressures, 8 and 13 GPa, K2SiH6adopts the trigonal (NH4)2SiF6structure type (P3¯ m1) upon formation. The trigonal polymorph is stable up to 725 °C at 13 GPa. At room temperature, the transition into an ambient pressure recoverable cubic form occurs below 6.7 GPa. Theory suggests the existence of an additional, hexagonal, variant in the pressure interval 3-5 GPa. According to density functional theory band structure calculations, K2SiH6is a semiconductor with a band gap around 2 eV. Nonbonding H-dominated states are situated below and Si-H anti-bonding states are located above the Fermi level. Enthalpically feasible and dynamically stable metallic variants of K2SiH6may be obtained when substituting Si partially by Al or P, thus inducing p- and n-type metallicity, respectively. Yet, electron-phonon coupling appears weak, and calculated superconducting transition temperatures are <1 K.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas