FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2329079470> ?p ?o ?g. }

• W2329079470 endingPage "6851" @default.
• W2329079470 startingPage "6841" @default.
• W2329079470 abstract "We report the global minimum (GM) structures and electronic properties of Csn clusters with up to 80 atoms, obtained employing a density functional theory method which accounts for van der Waals dispersion interactions (vdW-DFT). The GM structures of Csn are found to differ markedly from those of lighter alkali clusters like Nan. Three main physical factors are invoked to interpret the differences: vdW attraction, sd hybridization, and spin polarization. vdW effects are found to modify the GM structures of many Csn clusters as compared to the predictions of local and semilocal DFT approximations and tend to favor compact structures. sd hybridization accounts for the enhanced stability of strained motifs such as icosahedra or Kasper polyhedra. Finally, spin polarization stabilizes highly symmetric structures with a high orbital degeneracy. The electric dipole moments of most Csn clusters are close to zero, a distinguishing feature of metallicity previously observed for Nan clusters. However, our predictions show that some clusters like Cs10 or Cs26 have sizable electric dipole moments. High spin multiplicities are observed for many different sizes. The spontaneous magnetization of pure Csn clusters is intrinsic and exclusively due to delocalized electrons. This allows us to extend the concept of superatoms (multicenter systems that mimic the electronic behavior of elemental atoms) so that it encompasses also magnetic properties, without the need to introduce localized electrons or extrinsic impurities. The physical reasons for the stability of magnetic superatoms are identified and described." @default.
• W2329079470 created "2016-06-24" @default.
• W2329079470 creator A5080123478 @default.
• W2329079470 date "2012-03-16" @default.
• W2329079470 modified "2023-09-25" @default.
• W2329079470 title "Discovery of Magnetic Superatoms and Assessment of van der Waals Dispersion Effects in Cs_<i>n</i> Clusters" @default.
• W2329079470 cites W1964722355 @default.
• W2329079470 cites W1967025557 @default.
• W2329079470 cites W1967617463 @default.
• W2329079470 cites W1969056739 @default.
• W2329079470 cites W1972184607 @default.
• W2329079470 cites W1972827569 @default.
• W2329079470 cites W1973108015 @default.
• W2329079470 cites W1973507102 @default.
• W2329079470 cites W1977390303 @default.
• W2329079470 cites W1979182796 @default.
• W2329079470 cites W1980807995 @default.
• W2329079470 cites W1981368803 @default.
• W2329079470 cites W1984227487 @default.
• W2329079470 cites W1991483503 @default.
• W2329079470 cites W1997934413 @default.
• W2329079470 cites W2000536749 @default.
• W2329079470 cites W2001144025 @default.
• W2329079470 cites W2003193361 @default.
• W2329079470 cites W2004434214 @default.
• W2329079470 cites W2007814821 @default.
• W2329079470 cites W2007962994 @default.
• W2329079470 cites W2009731941 @default.
• W2329079470 cites W2015786455 @default.
• W2329079470 cites W2018521449 @default.
• W2329079470 cites W2019333713 @default.
• W2329079470 cites W2019801150 @default.
• W2329079470 cites W2019879186 @default.
• W2329079470 cites W2019935415 @default.
• W2329079470 cites W2026907619 @default.
• W2329079470 cites W2030582590 @default.
• W2329079470 cites W2030601089 @default.
• W2329079470 cites W2030976617 @default.
• W2329079470 cites W2033982717 @default.
• W2329079470 cites W2038348176 @default.
• W2329079470 cites W2047731094 @default.
• W2329079470 cites W2052632546 @default.
• W2329079470 cites W2052637367 @default.
• W2329079470 cites W2052728589 @default.
• W2329079470 cites W2054717698 @default.
• W2329079470 cites W2055037411 @default.
• W2329079470 cites W2055087248 @default.
• W2329079470 cites W2056319595 @default.
• W2329079470 cites W2059264725 @default.
• W2329079470 cites W2060661577 @default.
• W2329079470 cites W2063712031 @default.
• W2329079470 cites W2063957568 @default.
• W2329079470 cites W2067083669 @default.
• W2329079470 cites W2069367545 @default.
• W2329079470 cites W2070929968 @default.
• W2329079470 cites W2076858582 @default.
• W2329079470 cites W2080163828 @default.
• W2329079470 cites W2081409618 @default.
• W2329079470 cites W2088010521 @default.
• W2329079470 cites W2088528827 @default.
• W2329079470 cites W2096868202 @default.
• W2329079470 cites W2109191528 @default.
• W2329079470 cites W2111639451 @default.
• W2329079470 cites W2120502169 @default.
• W2329079470 cites W2127314131 @default.
• W2329079470 cites W2135736705 @default.
• W2329079470 cites W2149568574 @default.
• W2329079470 cites W2158389144 @default.
• W2329079470 cites W2230728100 @default.
• W2329079470 cites W2313239577 @default.
• W2329079470 cites W3105621768 @default.
• W2329079470 cites W2049974999 @default.
• W2329079470 doi "https://doi.org/10.1021/jp2119179" @default.
• W2329079470 hasPublicationYear "2012" @default.
• W2329079470 type Work @default.
• W2329079470 sameAs 2329079470 @default.
• W2329079470 citedByCount "20" @default.
• W2329079470 countsByYear W23290794702012 @default.
• W2329079470 countsByYear W23290794702013 @default.
• W2329079470 countsByYear W23290794702014 @default.
• W2329079470 countsByYear W23290794702015 @default.
• W2329079470 countsByYear W23290794702016 @default.
• W2329079470 countsByYear W23290794702017 @default.
• W2329079470 countsByYear W23290794702018 @default.
• W2329079470 countsByYear W23290794702020 @default.
• W2329079470 countsByYear W23290794702023 @default.
• W2329079470 crossrefType "journal-article" @default.
• W2329079470 hasAuthorship W2329079470A5080123478 @default.
• W2329079470 hasConcept C121332964 @default.
• W2329079470 hasConcept C126061179 @default.
• W2329079470 hasConcept C147120987 @default.
• W2329079470 hasConcept C147597530 @default.
• W2329079470 hasConcept C152365726 @default.
• W2329079470 hasConcept C159467904 @default.
• W2329079470 hasConcept C164866538 @default.
• W2329079470 hasConcept C173523689 @default.
• W2329079470 hasConcept C178790620 @default.
• W2329079470 hasConcept C184779094 @default.

• next