Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313622123> ?p ?o ?g. }
- W4313622123 endingPage "11" @default.
- W4313622123 startingPage "3" @default.
- W4313622123 abstract "Abstract In this research, density functional theory accompanied with linear combination of atomic orbitals (LCAO) method is applied to study the atomic and electronic structure of wurtzite and rocksalt Zn x Mg 1−x O pseudobinary compounds in their bulk phases. Calculated band gaps of Zn x Mg 1−x O solid solutions under study are further validated by means of spectroscopic ellipsometry and optical absorption. In agreement with an experiment, it is predicted that increase of Zn content in Zn x Mg 1−x O leads to narrowing of its band gap for both wurtzite and rocksalt phases. The calculated infra-red (IR) spectra show that the IR peaks are shifted towards larger frequencies along with decrease of Zn content. Presence of imaginary phonon frequencies in rocksalt Zn x Mg 1−x O of x > 0.625 allows us to suggest that it is necessary to use properly oriented substrates for epitaxial growth to overcome polycrystallinity inZn x Mg 1−x O thin films at concentration x = 0.4 – 0.6." @default.
- W4313622123 created "2023-01-07" @default.
- W4313622123 creator A5033425637 @default.
- W4313622123 creator A5039874079 @default.
- W4313622123 creator A5040111510 @default.
- W4313622123 creator A5044246727 @default.
- W4313622123 creator A5046467523 @default.
- W4313622123 creator A5050914206 @default.
- W4313622123 date "2022-12-01" @default.
- W4313622123 modified "2023-10-18" @default.
- W4313622123 title "DFT Simulations of Zn<sub>x</sub>Mg<sub>1–X</sub>O Solid Solutions for Solar-Blind UV Sensors: Evaluation of Electronic Structure and Phase Stability" @default.
- W4313622123 cites W1496757239 @default.
- W4313622123 cites W1964562277 @default.
- W4313622123 cites W1982329699 @default.
- W4313622123 cites W1994098092 @default.
- W4313622123 cites W2007848190 @default.
- W4313622123 cites W2017038274 @default.
- W4313622123 cites W2031121352 @default.
- W4313622123 cites W2036113194 @default.
- W4313622123 cites W2039174088 @default.
- W4313622123 cites W2039454436 @default.
- W4313622123 cites W2043462608 @default.
- W4313622123 cites W2060076162 @default.
- W4313622123 cites W2064585462 @default.
- W4313622123 cites W2065122813 @default.
- W4313622123 cites W2070526645 @default.
- W4313622123 cites W2079162340 @default.
- W4313622123 cites W2085386790 @default.
- W4313622123 cites W2095538582 @default.
- W4313622123 cites W2132925771 @default.
- W4313622123 cites W2135455917 @default.
- W4313622123 cites W2150338498 @default.
- W4313622123 cites W2335607567 @default.
- W4313622123 cites W2404467481 @default.
- W4313622123 cites W2416430436 @default.
- W4313622123 cites W2419177386 @default.
- W4313622123 cites W2560063440 @default.
- W4313622123 cites W2578564391 @default.
- W4313622123 cites W2609446429 @default.
- W4313622123 cites W2785721284 @default.
- W4313622123 cites W2793443888 @default.
- W4313622123 cites W2805855336 @default.
- W4313622123 cites W2886433019 @default.
- W4313622123 cites W2999449128 @default.
- W4313622123 cites W3034314937 @default.
- W4313622123 cites W3036181796 @default.
- W4313622123 doi "https://doi.org/10.2478/lpts-2022-0042" @default.
- W4313622123 hasPublicationYear "2022" @default.
- W4313622123 type Work @default.
- W4313622123 citedByCount "0" @default.
- W4313622123 crossrefType "journal-article" @default.
- W4313622123 hasAuthorship W4313622123A5033425637 @default.
- W4313622123 hasAuthorship W4313622123A5039874079 @default.
- W4313622123 hasAuthorship W4313622123A5040111510 @default.
- W4313622123 hasAuthorship W4313622123A5044246727 @default.
- W4313622123 hasAuthorship W4313622123A5046467523 @default.
- W4313622123 hasAuthorship W4313622123A5050914206 @default.
- W4313622123 hasBestOaLocation W43136221231 @default.
- W4313622123 hasConcept C113196181 @default.
- W4313622123 hasConcept C128765274 @default.
- W4313622123 hasConcept C138999460 @default.
- W4313622123 hasConcept C147597530 @default.
- W4313622123 hasConcept C152365726 @default.
- W4313622123 hasConcept C178790620 @default.
- W4313622123 hasConcept C181966813 @default.
- W4313622123 hasConcept C185592680 @default.
- W4313622123 hasConcept C191897082 @default.
- W4313622123 hasConcept C192562407 @default.
- W4313622123 hasConcept C3045981 @default.
- W4313622123 hasConcept C43617362 @default.
- W4313622123 hasConcept C44280652 @default.
- W4313622123 hasConcept C49040817 @default.
- W4313622123 hasConcept C53848692 @default.
- W4313622123 hasConcept C65956243 @default.
- W4313622123 hasConcept C8010536 @default.
- W4313622123 hasConcept C86025842 @default.
- W4313622123 hasConceptScore W4313622123C113196181 @default.
- W4313622123 hasConceptScore W4313622123C128765274 @default.
- W4313622123 hasConceptScore W4313622123C138999460 @default.
- W4313622123 hasConceptScore W4313622123C147597530 @default.
- W4313622123 hasConceptScore W4313622123C152365726 @default.
- W4313622123 hasConceptScore W4313622123C178790620 @default.
- W4313622123 hasConceptScore W4313622123C181966813 @default.
- W4313622123 hasConceptScore W4313622123C185592680 @default.
- W4313622123 hasConceptScore W4313622123C191897082 @default.
- W4313622123 hasConceptScore W4313622123C192562407 @default.
- W4313622123 hasConceptScore W4313622123C3045981 @default.
- W4313622123 hasConceptScore W4313622123C43617362 @default.
- W4313622123 hasConceptScore W4313622123C44280652 @default.
- W4313622123 hasConceptScore W4313622123C49040817 @default.
- W4313622123 hasConceptScore W4313622123C53848692 @default.
- W4313622123 hasConceptScore W4313622123C65956243 @default.
- W4313622123 hasConceptScore W4313622123C8010536 @default.
- W4313622123 hasConceptScore W4313622123C86025842 @default.
- W4313622123 hasIssue "6" @default.
- W4313622123 hasLocation W43136221231 @default.
- W4313622123 hasOpenAccess W4313622123 @default.
- W4313622123 hasPrimaryLocation W43136221231 @default.