Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015950574> ?p ?o ?g. }
- W2015950574 endingPage "3685" @default.
- W2015950574 startingPage "3673" @default.
- W2015950574 abstract "Results of first-principles (parameter-free) equation-of-state calculations are reported for sixteen alkali halides. The theory adopts the methods of Gordon and Kim for computing pair potentials for closed-shell systems. Specifically, the electronic ground-state energy is assumed to be that of an electron gas with the total charge density obtained by rigidly overlapping the free-ion charge densities. A number of properties are treated within this framework: lattice dynamics, elastic behavior, structure determination, thermal expansion, compressibility, and the overall stability of the lattice as a function of temperature and pressure. At high temperatures a lattice instability develops in which above a certain critical temperature (${T}_{c}$) the vibrational and static pressures cannot balance each other at any volume. It is argued that this instability plays a role in causing solids to melt. An attempt is made to ascribe trends in the discrepancies between theory and experiment to particular approximations of the theory. From this analysis it appears that (a) the pair-potential approximation is in greatest need of improvement, (b) anharmonic corrections tend to raise ${T}_{c}$ by about 20%, and (c) lattice imperfections are not an important factor for temperatures up to about 90% of the melting temperature." @default.
- W2015950574 created "2016-06-24" @default.
- W2015950574 creator A5012795222 @default.
- W2015950574 date "1981-04-15" @default.
- W2015950574 modified "2023-09-26" @default.
- W2015950574 title "First-principles equation-of-state calculations for alkali halides" @default.
- W2015950574 cites W1514499286 @default.
- W2015950574 cites W158137414 @default.
- W2015950574 cites W1968481940 @default.
- W2015950574 cites W1968736727 @default.
- W2015950574 cites W1969732389 @default.
- W2015950574 cites W1970727731 @default.
- W2015950574 cites W1971083830 @default.
- W2015950574 cites W1974386414 @default.
- W2015950574 cites W1989315506 @default.
- W2015950574 cites W1992474136 @default.
- W2015950574 cites W1997647282 @default.
- W2015950574 cites W1997931599 @default.
- W2015950574 cites W1998212392 @default.
- W2015950574 cites W2000848942 @default.
- W2015950574 cites W2012442680 @default.
- W2015950574 cites W2012700197 @default.
- W2015950574 cites W2022578090 @default.
- W2015950574 cites W2023193811 @default.
- W2015950574 cites W2025116846 @default.
- W2015950574 cites W2026774145 @default.
- W2015950574 cites W2029362311 @default.
- W2015950574 cites W2029427096 @default.
- W2015950574 cites W2030038576 @default.
- W2015950574 cites W2030976617 @default.
- W2015950574 cites W2031265577 @default.
- W2015950574 cites W2031622708 @default.
- W2015950574 cites W2040699468 @default.
- W2015950574 cites W2041284842 @default.
- W2015950574 cites W2042311384 @default.
- W2015950574 cites W2044341642 @default.
- W2015950574 cites W2054558012 @default.
- W2015950574 cites W2054926021 @default.
- W2015950574 cites W2056625911 @default.
- W2015950574 cites W2061765848 @default.
- W2015950574 cites W2063550487 @default.
- W2015950574 cites W2080003254 @default.
- W2015950574 cites W2080750761 @default.
- W2015950574 cites W2085896037 @default.
- W2015950574 cites W2093326691 @default.
- W2015950574 cites W2093984176 @default.
- W2015950574 cites W2110850821 @default.
- W2015950574 cites W2129007970 @default.
- W2015950574 cites W2154879103 @default.
- W2015950574 cites W2216543475 @default.
- W2015950574 cites W2316794531 @default.
- W2015950574 cites W2736995207 @default.
- W2015950574 cites W4236544830 @default.
- W2015950574 cites W4240919200 @default.
- W2015950574 doi "https://doi.org/10.1103/physrevb.23.3673" @default.
- W2015950574 hasPublicationYear "1981" @default.
- W2015950574 type Work @default.
- W2015950574 sameAs 2015950574 @default.
- W2015950574 citedByCount "127" @default.
- W2015950574 countsByYear W20159505742012 @default.
- W2015950574 countsByYear W20159505742013 @default.
- W2015950574 countsByYear W20159505742014 @default.
- W2015950574 countsByYear W20159505742015 @default.
- W2015950574 countsByYear W20159505742018 @default.
- W2015950574 crossrefType "journal-article" @default.
- W2015950574 hasAuthorship W2015950574A5012795222 @default.
- W2015950574 hasConcept C121332964 @default.
- W2015950574 hasConcept C147120987 @default.
- W2015950574 hasConcept C147724859 @default.
- W2015950574 hasConcept C171560689 @default.
- W2015950574 hasConcept C179104552 @default.
- W2015950574 hasConcept C184779094 @default.
- W2015950574 hasConcept C185592680 @default.
- W2015950574 hasConcept C192562407 @default.
- W2015950574 hasConcept C198091228 @default.
- W2015950574 hasConcept C207821765 @default.
- W2015950574 hasConcept C24890656 @default.
- W2015950574 hasConcept C26873012 @default.
- W2015950574 hasConcept C2781204021 @default.
- W2015950574 hasConcept C53810900 @default.
- W2015950574 hasConcept C62520636 @default.
- W2015950574 hasConcept C69523127 @default.
- W2015950574 hasConcept C84655787 @default.
- W2015950574 hasConcept C97355855 @default.
- W2015950574 hasConceptScore W2015950574C121332964 @default.
- W2015950574 hasConceptScore W2015950574C147120987 @default.
- W2015950574 hasConceptScore W2015950574C147724859 @default.
- W2015950574 hasConceptScore W2015950574C171560689 @default.
- W2015950574 hasConceptScore W2015950574C179104552 @default.
- W2015950574 hasConceptScore W2015950574C184779094 @default.
- W2015950574 hasConceptScore W2015950574C185592680 @default.
- W2015950574 hasConceptScore W2015950574C192562407 @default.
- W2015950574 hasConceptScore W2015950574C198091228 @default.
- W2015950574 hasConceptScore W2015950574C207821765 @default.
- W2015950574 hasConceptScore W2015950574C24890656 @default.
- W2015950574 hasConceptScore W2015950574C26873012 @default.
- W2015950574 hasConceptScore W2015950574C2781204021 @default.
- W2015950574 hasConceptScore W2015950574C53810900 @default.