Matches in SemOpenAlex for { <https://semopenalex.org/work/W2071653742> ?p ?o ?g. }
- W2071653742 endingPage "7318" @default.
- W2071653742 startingPage "7318" @default.
- W2071653742 abstract "A detailed study of the structural, electronic, and vibrational properties of crystalline ammonium perchlorate (AP) under hydrostatic compression was performed with density functional theory. The results show that the compressibility of AP is nearly isotropic. Our calculated cell volumes under compression are in agreement with experimental data. As the pressure increases, the band gap of AP first increases, peaks, and then gradually decreases. An analysis of density of states shows that the interactions between electrons, especially for the valence electrons, are strengthened under the influence of pressure. The calculated vibrational frequencies under different pressures are in agreement with available experimental data. On the whole, the frequency increase is more pronounced in the low-pressure range compared to the high-pressure region, and furthermore, different vibrational modes show distinctly different pressure-dependent behaviors." @default.
- W2071653742 created "2016-06-24" @default.
- W2071653742 creator A5028009429 @default.
- W2071653742 creator A5057295660 @default.
- W2071653742 creator A5079852487 @default.
- W2071653742 creator A5089525702 @default.
- W2071653742 date "2008-01-01" @default.
- W2071653742 modified "2023-10-16" @default.
- W2071653742 title "Density functional theory studies of hydrostatic compression of crystalline ammonium perchlorate" @default.
- W2071653742 cites W1965752441 @default.
- W2071653742 cites W1966750682 @default.
- W2071653742 cites W1972031885 @default.
- W2071653742 cites W1976099376 @default.
- W2071653742 cites W1977785466 @default.
- W2071653742 cites W1981368803 @default.
- W2071653742 cites W1989505774 @default.
- W2071653742 cites W1994105947 @default.
- W2071653742 cites W1997749700 @default.
- W2071653742 cites W2000736691 @default.
- W2071653742 cites W2003597232 @default.
- W2071653742 cites W2005619685 @default.
- W2071653742 cites W2014135143 @default.
- W2071653742 cites W2017287113 @default.
- W2071653742 cites W2019551925 @default.
- W2071653742 cites W2020408487 @default.
- W2071653742 cites W2023061515 @default.
- W2071653742 cites W2025995035 @default.
- W2071653742 cites W2026907619 @default.
- W2071653742 cites W2030695383 @default.
- W2071653742 cites W2031583838 @default.
- W2071653742 cites W2031770509 @default.
- W2071653742 cites W2032490070 @default.
- W2071653742 cites W2035826487 @default.
- W2071653742 cites W2036267276 @default.
- W2071653742 cites W2041048910 @default.
- W2071653742 cites W2043043107 @default.
- W2071653742 cites W2049309147 @default.
- W2071653742 cites W2052637367 @default.
- W2071653742 cites W2053349363 @default.
- W2071653742 cites W2054011751 @default.
- W2071653742 cites W2057245766 @default.
- W2071653742 cites W2058306771 @default.
- W2071653742 cites W2061681331 @default.
- W2071653742 cites W2063577102 @default.
- W2071653742 cites W2069118558 @default.
- W2071653742 cites W2074357702 @default.
- W2071653742 cites W2077214600 @default.
- W2071653742 cites W2077778676 @default.
- W2071653742 cites W2081453815 @default.
- W2071653742 cites W2083222334 @default.
- W2071653742 cites W2083313179 @default.
- W2071653742 cites W2083784146 @default.
- W2071653742 cites W2085411703 @default.
- W2071653742 cites W2086921801 @default.
- W2071653742 cites W2087585288 @default.
- W2071653742 cites W2093237755 @default.
- W2071653742 cites W2093560226 @default.
- W2071653742 cites W2144844311 @default.
- W2071653742 cites W2162014031 @default.
- W2071653742 cites W2486201738 @default.
- W2071653742 doi "https://doi.org/10.1039/b810525a" @default.
- W2071653742 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19060977" @default.
- W2071653742 hasPublicationYear "2008" @default.
- W2071653742 type Work @default.
- W2071653742 sameAs 2071653742 @default.
- W2071653742 citedByCount "33" @default.
- W2071653742 countsByYear W20716537422012 @default.
- W2071653742 countsByYear W20716537422013 @default.
- W2071653742 countsByYear W20716537422014 @default.
- W2071653742 countsByYear W20716537422015 @default.
- W2071653742 countsByYear W20716537422016 @default.
- W2071653742 countsByYear W20716537422017 @default.
- W2071653742 countsByYear W20716537422019 @default.
- W2071653742 countsByYear W20716537422020 @default.
- W2071653742 countsByYear W20716537422022 @default.
- W2071653742 countsByYear W20716537422023 @default.
- W2071653742 crossrefType "journal-article" @default.
- W2071653742 hasAuthorship W2071653742A5028009429 @default.
- W2071653742 hasAuthorship W2071653742A5057295660 @default.
- W2071653742 hasAuthorship W2071653742A5079852487 @default.
- W2071653742 hasAuthorship W2071653742A5089525702 @default.
- W2071653742 hasConcept C105923489 @default.
- W2071653742 hasConcept C120665830 @default.
- W2071653742 hasConcept C121332964 @default.
- W2071653742 hasConcept C134853933 @default.
- W2071653742 hasConcept C147120987 @default.
- W2071653742 hasConcept C147597530 @default.
- W2071653742 hasConcept C147789679 @default.
- W2071653742 hasConcept C152365726 @default.
- W2071653742 hasConcept C159985019 @default.
- W2071653742 hasConcept C180016635 @default.
- W2071653742 hasConcept C184050105 @default.
- W2071653742 hasConcept C185592680 @default.
- W2071653742 hasConcept C192562407 @default.
- W2071653742 hasConcept C2776704483 @default.
- W2071653742 hasConcept C2910081258 @default.
- W2071653742 hasConcept C38649801 @default.
- W2071653742 hasConcept C41999313 @default.