Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000825970> ?p ?o ?g. }
- W2000825970 endingPage "9495" @default.
- W2000825970 startingPage "9486" @default.
- W2000825970 abstract "The potential-energy surfaces (PES's) and electronic structures of neutral interstitial hydrogen in zinc-blende AlP and SiC are calculated and compared with those previously obtained at the same theoretical level in diamond, Si, and zinc-blende BN and BP. The calculations are done in a variety of clusters at the approximate ab initio Hartree-Fock level with the method of partial retention of diatomic differential overlap. The PES has three minima in each host: near the bond-centered (BC) site, and at the two inequivalent tetrahedral interstitial (T) sites. At the BC site, ${mathrm{H}}^{0}$ always forms a stronger bond with the least electronegative atom. The lowest in energy of the two T sites always is the one with the four least electronegative nearest neighbors. In AlP and SiC, the BC site is not the absolute minimum of the PES. Systematic trends in the properties of ${mathrm{H}}^{0}$ with the ionic character of the host are apparent. The diffusion characteristics of H in the various hosts are discussed. The equilibrium structures of ${mathrm{H}}^{0}$ and ${mathrm{H}}^{+}$ are calculated. Our results show that ${mathrm{ensuremath{mu}}}^{+}$ is (${mathrm{Mu}}^{mathrm{*}}$${)}^{+}$. The various transitions involving ${mathrm{ensuremath{mu}}}^{+}$ (${mathrm{Mu}}^{mathrm{*}}$ensuremath{rightarrow}${mathrm{ensuremath{mu}}}^{+}$, Muensuremath{rightarrow}${mathrm{ensuremath{mu}}}^{+}$, or ${mathrm{ensuremath{mu}}}^{+}$ensuremath{rightarrow}Mu) observed in Si, Ge, GaAs, or SiC are consistent with our PES's." @default.
- W2000825970 created "2016-06-24" @default.
- W2000825970 creator A5031065230 @default.
- W2000825970 creator A5080311401 @default.
- W2000825970 date "1990-11-15" @default.
- W2000825970 modified "2023-10-14" @default.
- W2000825970 title "Similarities, differences, and trends in the properties of interstitial H in cubic C, Si, BN, BP, AlP, and SiC" @default.
- W2000825970 cites W1963604615 @default.
- W2000825970 cites W1964463478 @default.
- W2000825970 cites W1966417791 @default.
- W2000825970 cites W1968831217 @default.
- W2000825970 cites W1969744563 @default.
- W2000825970 cites W1970994392 @default.
- W2000825970 cites W1973804194 @default.
- W2000825970 cites W1976359282 @default.
- W2000825970 cites W1977836240 @default.
- W2000825970 cites W1980281181 @default.
- W2000825970 cites W1989200739 @default.
- W2000825970 cites W1990195154 @default.
- W2000825970 cites W1991765229 @default.
- W2000825970 cites W1992083355 @default.
- W2000825970 cites W1993480394 @default.
- W2000825970 cites W1994095170 @default.
- W2000825970 cites W1996993537 @default.
- W2000825970 cites W1998365152 @default.
- W2000825970 cites W1998709562 @default.
- W2000825970 cites W2002849093 @default.
- W2000825970 cites W2004058961 @default.
- W2000825970 cites W2009511007 @default.
- W2000825970 cites W2011039813 @default.
- W2000825970 cites W2015828457 @default.
- W2000825970 cites W2016430738 @default.
- W2000825970 cites W2017038251 @default.
- W2000825970 cites W2020506789 @default.
- W2000825970 cites W2023659019 @default.
- W2000825970 cites W2023923663 @default.
- W2000825970 cites W2024415138 @default.
- W2000825970 cites W2026439270 @default.
- W2000825970 cites W2028645229 @default.
- W2000825970 cites W2028764930 @default.
- W2000825970 cites W2033854524 @default.
- W2000825970 cites W2038489783 @default.
- W2000825970 cites W2040215822 @default.
- W2000825970 cites W2043873836 @default.
- W2000825970 cites W2044963294 @default.
- W2000825970 cites W2046291813 @default.
- W2000825970 cites W2046821516 @default.
- W2000825970 cites W2048607366 @default.
- W2000825970 cites W2050015700 @default.
- W2000825970 cites W2059618372 @default.
- W2000825970 cites W2060137903 @default.
- W2000825970 cites W2060775670 @default.
- W2000825970 cites W2060928392 @default.
- W2000825970 cites W2063186977 @default.
- W2000825970 cites W2064903819 @default.
- W2000825970 cites W2071866367 @default.
- W2000825970 cites W2072477970 @default.
- W2000825970 cites W2077220809 @default.
- W2000825970 cites W2083477877 @default.
- W2000825970 cites W2084394669 @default.
- W2000825970 cites W2086773863 @default.
- W2000825970 cites W2086886061 @default.
- W2000825970 cites W2088632644 @default.
- W2000825970 cites W2089643328 @default.
- W2000825970 cites W2090425109 @default.
- W2000825970 cites W2093871741 @default.
- W2000825970 cites W2114800992 @default.
- W2000825970 cites W2131079734 @default.
- W2000825970 cites W2159570720 @default.
- W2000825970 cites W2323536820 @default.
- W2000825970 cites W2325152003 @default.
- W2000825970 cites W2332554161 @default.
- W2000825970 cites W2900202503 @default.
- W2000825970 cites W4211145342 @default.
- W2000825970 cites W4232406761 @default.
- W2000825970 cites W4243331376 @default.
- W2000825970 doi "https://doi.org/10.1103/physrevb.42.9486" @default.
- W2000825970 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9995186" @default.
- W2000825970 hasPublicationYear "1990" @default.
- W2000825970 type Work @default.
- W2000825970 sameAs 2000825970 @default.
- W2000825970 citedByCount "51" @default.
- W2000825970 countsByYear W20008259702019 @default.
- W2000825970 countsByYear W20008259702020 @default.
- W2000825970 countsByYear W20008259702023 @default.
- W2000825970 crossrefType "journal-article" @default.
- W2000825970 hasAuthorship W2000825970A5031065230 @default.
- W2000825970 hasAuthorship W2000825970A5080311401 @default.
- W2000825970 hasConcept C121332964 @default.
- W2000825970 hasConcept C145148216 @default.
- W2000825970 hasConcept C149635348 @default.
- W2000825970 hasConcept C184779094 @default.
- W2000825970 hasConcept C185592680 @default.
- W2000825970 hasConcept C186370098 @default.
- W2000825970 hasConcept C192562407 @default.
- W2000825970 hasConcept C2182769 @default.
- W2000825970 hasConcept C2781442258 @default.
- W2000825970 hasConcept C41008148 @default.