FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2036193670> ?p ?o ?g. }

• W2036193670 endingPage "4979" @default.
• W2036193670 startingPage "4965" @default.
• W2036193670 abstract "We have developed a new method to calculate electronic states associated with localized defects. The method yields energy levels, wave functions, and electron charge densities with a precision which is equal to state-of-the-art results for bulk band structure or surface calculations and thus should eventually allow meaningful detailed comparison with experiments. The calculations are based on a scattering-type Green's-function formulation which describes the system of a single isolated defect in an otherwise perfect crystal. Self-consistency is achieved by an iterative recalculation of the valence charge and then of the defect potential. The Green's function, which expresses all of the necessary information about the perfect crystal, is here evaluated using an eigenfunction expansion employing high-precision wave functions and band structures obtained from a self-consistent, pseudopotential, local-density-functional calculation. The defect potential is calculated in the same approximation, using occupied electron states of the perturbed system. The use of this method is not restricted, however, to pseudopotentials. The possibility of extending it, e.g., in the direction of crystal ionic potentials with core electrons, seems quite real in the event that such extension should be needed, say, for studying the energetics of relaxation or reconstruction around the vacancy. The method is applied to the example of an isolated Si vacancy. This system has been chosen to facilitate comparison to earlier non-self-consistent, or self-consistent but artificially periodic, calculations. The results generally agree with these earlier works but are improved in various aspects." @default.
• W2036193670 created "2016-06-24" @default.
• W2036193670 creator A5051964931 @default.
• W2036193670 creator A5060598395 @default.
• W2036193670 date "1979-05-15" @default.
• W2036193670 modified "2023-10-09" @default.
• W2036193670 title "New self-consistent approach to the electronic structure of localized defects in solids" @default.
• W2036193670 cites W1968530028 @default.
• W2036193670 cites W1970161653 @default.
• W2036193670 cites W1971821930 @default.
• W2036193670 cites W1976259551 @default.
• W2036193670 cites W1978747006 @default.
• W2036193670 cites W1982724896 @default.
• W2036193670 cites W1989099397 @default.
• W2036193670 cites W2001449510 @default.
• W2036193670 cites W2008353088 @default.
• W2036193670 cites W2014612301 @default.
• W2036193670 cites W2017888190 @default.
• W2036193670 cites W2033547713 @default.
• W2036193670 cites W2038221120 @default.
• W2036193670 cites W2039276593 @default.
• W2036193670 cites W2056906317 @default.
• W2036193670 cites W2060376098 @default.
• W2036193670 cites W2072021762 @default.
• W2036193670 cites W2073026770 @default.
• W2036193670 cites W2075895562 @default.
• W2036193670 cites W2083478851 @default.
• W2036193670 cites W2121431647 @default.
• W2036193670 cites W2129178427 @default.
• W2036193670 cites W4238636434 @default.
• W2036193670 doi "https://doi.org/10.1103/physrevb.19.4965" @default.
• W2036193670 hasPublicationYear "1979" @default.
• W2036193670 type Work @default.
• W2036193670 sameAs 2036193670 @default.
• W2036193670 citedByCount "219" @default.
• W2036193670 countsByYear W20361936702013 @default.
• W2036193670 countsByYear W20361936702015 @default.
• W2036193670 countsByYear W20361936702016 @default.
• W2036193670 countsByYear W20361936702017 @default.
• W2036193670 countsByYear W20361936702018 @default.
• W2036193670 countsByYear W20361936702020 @default.
• W2036193670 countsByYear W20361936702021 @default.
• W2036193670 countsByYear W20361936702022 @default.
• W2036193670 countsByYear W20361936702023 @default.
• W2036193670 crossrefType "journal-article" @default.
• W2036193670 hasAuthorship W2036193670A5051964931 @default.
• W2036193670 hasAuthorship W2036193670A5060598395 @default.
• W2036193670 hasConcept C113603373 @default.
• W2036193670 hasConcept C114221277 @default.
• W2036193670 hasConcept C121332964 @default.
• W2036193670 hasConcept C125469278 @default.
• W2036193670 hasConcept C128803854 @default.
• W2036193670 hasConcept C132378524 @default.
• W2036193670 hasConcept C147120987 @default.
• W2036193670 hasConcept C15744967 @default.
• W2036193670 hasConcept C158693339 @default.
• W2036193670 hasConcept C168900304 @default.
• W2036193670 hasConcept C184779094 @default.
• W2036193670 hasConcept C191486275 @default.
• W2036193670 hasConcept C199360897 @default.
• W2036193670 hasConcept C26873012 @default.
• W2036193670 hasConcept C2776029896 @default.
• W2036193670 hasConcept C2778806115 @default.
• W2036193670 hasConcept C2781285689 @default.
• W2036193670 hasConcept C30475298 @default.
• W2036193670 hasConcept C41008148 @default.
• W2036193670 hasConcept C62520636 @default.
• W2036193670 hasConcept C77805123 @default.
• W2036193670 hasConcept C86025842 @default.
• W2036193670 hasConceptScore W2036193670C113603373 @default.
• W2036193670 hasConceptScore W2036193670C114221277 @default.
• W2036193670 hasConceptScore W2036193670C121332964 @default.
• W2036193670 hasConceptScore W2036193670C125469278 @default.
• W2036193670 hasConceptScore W2036193670C128803854 @default.
• W2036193670 hasConceptScore W2036193670C132378524 @default.
• W2036193670 hasConceptScore W2036193670C147120987 @default.
• W2036193670 hasConceptScore W2036193670C15744967 @default.
• W2036193670 hasConceptScore W2036193670C158693339 @default.
• W2036193670 hasConceptScore W2036193670C168900304 @default.
• W2036193670 hasConceptScore W2036193670C184779094 @default.
• W2036193670 hasConceptScore W2036193670C191486275 @default.
• W2036193670 hasConceptScore W2036193670C199360897 @default.
• W2036193670 hasConceptScore W2036193670C26873012 @default.
• W2036193670 hasConceptScore W2036193670C2776029896 @default.
• W2036193670 hasConceptScore W2036193670C2778806115 @default.
• W2036193670 hasConceptScore W2036193670C2781285689 @default.
• W2036193670 hasConceptScore W2036193670C30475298 @default.
• W2036193670 hasConceptScore W2036193670C41008148 @default.
• W2036193670 hasConceptScore W2036193670C62520636 @default.
• W2036193670 hasConceptScore W2036193670C77805123 @default.
• W2036193670 hasConceptScore W2036193670C86025842 @default.
• W2036193670 hasIssue "10" @default.
• W2036193670 hasLocation W20361936701 @default.
• W2036193670 hasOpenAccess W2036193670 @default.
• W2036193670 hasPrimaryLocation W20361936701 @default.
• W2036193670 hasRelatedWork W1970281700 @default.
• W2036193670 hasRelatedWork W1979078816 @default.
• W2036193670 hasRelatedWork W2024983874 @default.

• next