FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2897733641> ?p ?o ?g. }

• W2897733641 endingPage "105211" @default.
• W2897733641 startingPage "105211" @default.
• W2897733641 abstract "In this paper, we present the results of systematic test calculations for the electronic structure of thermoelectric material ZnSb using a first-principles full-potential all electron computational method. We used a linear combination of atomic orbitals (LACO) formalism, based on density functional theory (DFT). The exchange-correlation interaction potential of the many electron system was described by using a generalized gradient approximation (GGA). We compared the calculated indirect and direct band gaps as well as the effective masses of holes and electrons in ZnSb with experimental measurement results. The calculated indirect band gap of ZnSb is 0.56 eV, which agrees very well with the experimentally measured values of 0.50 eV ∼ 0.61 eV. The calculated direct band gap at X point is 0.89 eV. The calculated effective masses of electrons and holes in ZnSb also agree with experimental data. The systematical test calculations as well as the comparisons of the calculated results with experimental measurements show that the obtained electronic structure of ZnSb would be reliable. We did not observe a major deficiency of the first-principles DFT calculation for the electronic structure of ZnSb, using full-potential all electron LACO method. The reported electronic structure of single crystal ZnSb from this work may provide a fundamental knowledge base for further research and applications for this important thermoelectric material." @default.
• W2897733641 created "2018-10-26" @default.
• W2897733641 creator A5029847974 @default.
• W2897733641 creator A5069875493 @default.
• W2897733641 creator A5081530169 @default.
• W2897733641 date "2018-10-01" @default.
• W2897733641 modified "2023-10-17" @default.
• W2897733641 title "Reliable density functional calculations for the electronic structure of thermoelectric material ZnSb" @default.
• W2897733641 cites W1968568757 @default.
• W2897733641 cites W1977421575 @default.
• W2897733641 cites W1979417671 @default.
• W2897733641 cites W1980290289 @default.
• W2897733641 cites W1989127816 @default.
• W2897733641 cites W1992122596 @default.
• W2897733641 cites W1996845210 @default.
• W2897733641 cites W1999582023 @default.
• W2897733641 cites W2012560231 @default.
• W2897733641 cites W2017805851 @default.
• W2897733641 cites W2018650865 @default.
• W2897733641 cites W2024758408 @default.
• W2897733641 cites W2030687437 @default.
• W2897733641 cites W2041386008 @default.
• W2897733641 cites W2047229717 @default.
• W2897733641 cites W2050390172 @default.
• W2897733641 cites W2071097743 @default.
• W2897733641 cites W2075291080 @default.
• W2897733641 cites W2085093563 @default.
• W2897733641 cites W2090135568 @default.
• W2897733641 cites W2091287886 @default.
• W2897733641 cites W2107982894 @default.
• W2897733641 cites W2114295389 @default.
• W2897733641 cites W2117894566 @default.
• W2897733641 cites W2549048629 @default.
• W2897733641 cites W3101313619 @default.
• W2897733641 cites W4236502630 @default.
• W2897733641 doi "https://doi.org/10.1063/1.5051346" @default.
• W2897733641 hasPublicationYear "2018" @default.
• W2897733641 type Work @default.
• W2897733641 sameAs 2897733641 @default.
• W2897733641 citedByCount "9" @default.
• W2897733641 countsByYear W28977336412019 @default.
• W2897733641 countsByYear W28977336412020 @default.
• W2897733641 countsByYear W28977336412022 @default.
• W2897733641 countsByYear W28977336412023 @default.
• W2897733641 crossrefType "journal-article" @default.
• W2897733641 hasAuthorship W2897733641A5029847974 @default.
• W2897733641 hasAuthorship W2897733641A5069875493 @default.
• W2897733641 hasAuthorship W2897733641A5081530169 @default.
• W2897733641 hasBestOaLocation W28977336411 @default.
• W2897733641 hasConcept C121332964 @default.
• W2897733641 hasConcept C125469278 @default.
• W2897733641 hasConcept C147120987 @default.
• W2897733641 hasConcept C147597530 @default.
• W2897733641 hasConcept C152365726 @default.
• W2897733641 hasConcept C181966813 @default.
• W2897733641 hasConcept C185592680 @default.
• W2897733641 hasConcept C192562407 @default.
• W2897733641 hasConcept C193154288 @default.
• W2897733641 hasConcept C26873012 @default.
• W2897733641 hasConcept C62520636 @default.
• W2897733641 hasConcept C63024428 @default.
• W2897733641 hasConcept C86025842 @default.
• W2897733641 hasConcept C97355855 @default.
• W2897733641 hasConceptScore W2897733641C121332964 @default.
• W2897733641 hasConceptScore W2897733641C125469278 @default.
• W2897733641 hasConceptScore W2897733641C147120987 @default.
• W2897733641 hasConceptScore W2897733641C147597530 @default.
• W2897733641 hasConceptScore W2897733641C152365726 @default.
• W2897733641 hasConceptScore W2897733641C181966813 @default.
• W2897733641 hasConceptScore W2897733641C185592680 @default.
• W2897733641 hasConceptScore W2897733641C192562407 @default.
• W2897733641 hasConceptScore W2897733641C193154288 @default.
• W2897733641 hasConceptScore W2897733641C26873012 @default.
• W2897733641 hasConceptScore W2897733641C62520636 @default.
• W2897733641 hasConceptScore W2897733641C63024428 @default.
• W2897733641 hasConceptScore W2897733641C86025842 @default.
• W2897733641 hasConceptScore W2897733641C97355855 @default.
• W2897733641 hasFunder F4320306076 @default.
• W2897733641 hasFunder F4320306084 @default.
• W2897733641 hasFunder F4320338281 @default.
• W2897733641 hasIssue "10" @default.
• W2897733641 hasLocation W28977336411 @default.
• W2897733641 hasLocation W28977336412 @default.
• W2897733641 hasLocation W28977336413 @default.
• W2897733641 hasOpenAccess W2897733641 @default.
• W2897733641 hasPrimaryLocation W28977336411 @default.
• W2897733641 hasRelatedWork W2014987725 @default.
• W2897733641 hasRelatedWork W2406861146 @default.
• W2897733641 hasRelatedWork W2535328381 @default.
• W2897733641 hasRelatedWork W2593010833 @default.
• W2897733641 hasRelatedWork W2670430426 @default.
• W2897733641 hasRelatedWork W2999375136 @default.
• W2897733641 hasRelatedWork W3006395738 @default.
• W2897733641 hasRelatedWork W3108419251 @default.
• W2897733641 hasRelatedWork W3194070844 @default.
• W2897733641 hasRelatedWork W797749530 @default.
• W2897733641 hasVolume "8" @default.
• W2897733641 isParatext "false" @default.

• next