Matches in SemOpenAlex for { <https://semopenalex.org/work/W1938767531> ?p ?o ?g. }
- W1938767531 abstract "The proton disorder in ice has a key role in several properties such as the growth mode, thermodynamical properties, and ferroelectricity. While structural phase transitions from proton disordered to proton ordered ices have been extensively studied, much less is known about their electronic and optical properties. Here, we present ab initio many body perturbation theory-based calculations of the electronic and optical properties of cubic ice at different levels of proton disorder. We compare our results with those from liquid water, that acts as an example of a fully (proton- and oxygen-)disordered system. We find that by increasing the proton disorder, a shrinking of the electronic gap occurs in ice, and it is smallest in the liquid water. Simultaneously, the excitonic binding energy decreases, so that the final optical gaps result to be almost independent on the degree of proton disorder. We explain these findings as an interplay between the local dipolar disorder and the electronic correlation." @default.
- W1938767531 created "2016-06-24" @default.
- W1938767531 creator A5026888171 @default.
- W1938767531 creator A5026989187 @default.
- W1938767531 creator A5030414552 @default.
- W1938767531 creator A5051599835 @default.
- W1938767531 creator A5075026449 @default.
- W1938767531 date "2015-08-27" @default.
- W1938767531 modified "2023-10-18" @default.
- W1938767531 title "Proton disorder in cubic ice: Effect on the electronic and optical properties" @default.
- W1938767531 cites W1967329550 @default.
- W1938767531 cites W1970801412 @default.
- W1938767531 cites W1972356485 @default.
- W1938767531 cites W1979972061 @default.
- W1938767531 cites W1980461509 @default.
- W1938767531 cites W1995887582 @default.
- W1938767531 cites W1996291393 @default.
- W1938767531 cites W2000196463 @default.
- W1938767531 cites W2000301635 @default.
- W1938767531 cites W2004618543 @default.
- W1938767531 cites W2011327487 @default.
- W1938767531 cites W2012214628 @default.
- W1938767531 cites W2016862518 @default.
- W1938767531 cites W2030976617 @default.
- W1938767531 cites W2035374915 @default.
- W1938767531 cites W2035646092 @default.
- W1938767531 cites W2037211266 @default.
- W1938767531 cites W2040818206 @default.
- W1938767531 cites W2049791136 @default.
- W1938767531 cites W2053499780 @default.
- W1938767531 cites W2058644905 @default.
- W1938767531 cites W2064606488 @default.
- W1938767531 cites W2067200099 @default.
- W1938767531 cites W2074347077 @default.
- W1938767531 cites W2074398631 @default.
- W1938767531 cites W2075275303 @default.
- W1938767531 cites W2077635401 @default.
- W1938767531 cites W2080753004 @default.
- W1938767531 cites W2081926166 @default.
- W1938767531 cites W2089449160 @default.
- W1938767531 cites W2090127702 @default.
- W1938767531 cites W2090690650 @default.
- W1938767531 cites W2093914988 @default.
- W1938767531 cites W2113196699 @default.
- W1938767531 cites W2120145199 @default.
- W1938767531 cites W2128369541 @default.
- W1938767531 cites W2154209426 @default.
- W1938767531 cites W2157608952 @default.
- W1938767531 cites W2206626044 @default.
- W1938767531 cites W2230728100 @default.
- W1938767531 cites W3206606417 @default.
- W1938767531 doi "https://doi.org/10.1063/1.4929468" @default.
- W1938767531 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26328856" @default.
- W1938767531 hasPublicationYear "2015" @default.
- W1938767531 type Work @default.
- W1938767531 sameAs 1938767531 @default.
- W1938767531 citedByCount "6" @default.
- W1938767531 countsByYear W19387675312018 @default.
- W1938767531 countsByYear W19387675312019 @default.
- W1938767531 countsByYear W19387675312020 @default.
- W1938767531 countsByYear W19387675312021 @default.
- W1938767531 crossrefType "journal-article" @default.
- W1938767531 hasAuthorship W1938767531A5026888171 @default.
- W1938767531 hasAuthorship W1938767531A5026989187 @default.
- W1938767531 hasAuthorship W1938767531A5030414552 @default.
- W1938767531 hasAuthorship W1938767531A5051599835 @default.
- W1938767531 hasAuthorship W1938767531A5075026449 @default.
- W1938767531 hasBestOaLocation W19387675312 @default.
- W1938767531 hasConcept C121332964 @default.
- W1938767531 hasConcept C159467904 @default.
- W1938767531 hasConcept C173523689 @default.
- W1938767531 hasConcept C178790620 @default.
- W1938767531 hasConcept C183971685 @default.
- W1938767531 hasConcept C185544564 @default.
- W1938767531 hasConcept C185592680 @default.
- W1938767531 hasConcept C192562407 @default.
- W1938767531 hasConcept C26873012 @default.
- W1938767531 hasConcept C2781442258 @default.
- W1938767531 hasConcept C32909587 @default.
- W1938767531 hasConcept C54516573 @default.
- W1938767531 hasConcept C86025842 @default.
- W1938767531 hasConceptScore W1938767531C121332964 @default.
- W1938767531 hasConceptScore W1938767531C159467904 @default.
- W1938767531 hasConceptScore W1938767531C173523689 @default.
- W1938767531 hasConceptScore W1938767531C178790620 @default.
- W1938767531 hasConceptScore W1938767531C183971685 @default.
- W1938767531 hasConceptScore W1938767531C185544564 @default.
- W1938767531 hasConceptScore W1938767531C185592680 @default.
- W1938767531 hasConceptScore W1938767531C192562407 @default.
- W1938767531 hasConceptScore W1938767531C26873012 @default.
- W1938767531 hasConceptScore W1938767531C2781442258 @default.
- W1938767531 hasConceptScore W1938767531C32909587 @default.
- W1938767531 hasConceptScore W1938767531C54516573 @default.
- W1938767531 hasConceptScore W1938767531C86025842 @default.
- W1938767531 hasIssue "8" @default.
- W1938767531 hasLocation W19387675311 @default.
- W1938767531 hasLocation W19387675312 @default.
- W1938767531 hasLocation W19387675313 @default.
- W1938767531 hasOpenAccess W1938767531 @default.
- W1938767531 hasPrimaryLocation W19387675311 @default.