Matches in SemOpenAlex for { <https://semopenalex.org/work/W1697326260> ?p ?o ?g. }
- W1697326260 abstract "A tetragonal phase is predicted for Hf2O3 and Zr2O3 using density functional theory. Starting from atomic and unit cell relaxations of substoichiometric monoclinic HfO2 and ZrO2, such tetragonal structures are only reached at zero temperature by introducing the oxygen vacancy pair with the lowest formation energy. The tetragonal Hf2O3 and Zr2O3 structures belong to space group P-4m2 and are more stable than their corundum structure counterparts. These phases are semi-metallic, as confirmed through further G0W0 calculations. The carrier concentrations are estimated to be 1.77E21 cm^{-3} for both electrons and holes in tetragonal Hf2O3, and 1.75E21 cm^{-3} for both electrons and holes in tetragonal Zr2O3. The tetragonal Hf2O3 phase is probably related to the low resistivity state of hafnia-based resistive random access memory (RRAM)." @default.
- W1697326260 created "2016-06-24" @default.
- W1697326260 creator A5019910284 @default.
- W1697326260 creator A5027071437 @default.
- W1697326260 creator A5057429129 @default.
- W1697326260 creator A5085831106 @default.
- W1697326260 date "2013-02-05" @default.
- W1697326260 modified "2023-10-04" @default.
- W1697326260 title "Prediction of Semimetallic Tetragonal<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>Hf</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=bold>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>Zr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=bold>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>from First Principles" @default.
- W1697326260 cites W1513891020 @default.
- W1697326260 cites W1963850861 @default.
- W1697326260 cites W1969942778 @default.
- W1697326260 cites W1970127494 @default.
- W1697326260 cites W1975078461 @default.
- W1697326260 cites W1979544533 @default.
- W1697326260 cites W1981368803 @default.
- W1697326260 cites W1985628158 @default.
- W1697326260 cites W1985674673 @default.
- W1697326260 cites W1998981899 @default.
- W1697326260 cites W2004007100 @default.
- W1697326260 cites W2007395042 @default.
- W1697326260 cites W2007791510 @default.
- W1697326260 cites W2010959282 @default.
- W1697326260 cites W2011327487 @default.
- W1697326260 cites W2011873780 @default.
- W1697326260 cites W2015762944 @default.
- W1697326260 cites W2018332778 @default.
- W1697326260 cites W2019848918 @default.
- W1697326260 cites W2022340946 @default.
- W1697326260 cites W2028056984 @default.
- W1697326260 cites W2030976617 @default.
- W1697326260 cites W2036113194 @default.
- W1697326260 cites W2036127775 @default.
- W1697326260 cites W2037994181 @default.
- W1697326260 cites W2045197688 @default.
- W1697326260 cites W2045596260 @default.
- W1697326260 cites W2053674573 @default.
- W1697326260 cites W2056905904 @default.
- W1697326260 cites W2068554424 @default.
- W1697326260 cites W2083222334 @default.
- W1697326260 cites W2086075107 @default.
- W1697326260 cites W2087514840 @default.
- W1697326260 cites W2089137280 @default.
- W1697326260 cites W2118980095 @default.
- W1697326260 cites W2230728100 @default.
- W1697326260 cites W3098194630 @default.
- W1697326260 doi "https://doi.org/10.1103/physrevlett.110.065502" @default.
- W1697326260 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23432270" @default.
- W1697326260 hasPublicationYear "2013" @default.
- W1697326260 type Work @default.
- W1697326260 sameAs 1697326260 @default.
- W1697326260 citedByCount "74" @default.
- W1697326260 countsByYear W16973262602013 @default.
- W1697326260 countsByYear W16973262602014 @default.
- W1697326260 countsByYear W16973262602015 @default.
- W1697326260 countsByYear W16973262602016 @default.
- W1697326260 countsByYear W16973262602017 @default.
- W1697326260 countsByYear W16973262602018 @default.
- W1697326260 countsByYear W16973262602019 @default.
- W1697326260 countsByYear W16973262602020 @default.
- W1697326260 countsByYear W16973262602021 @default.
- W1697326260 countsByYear W16973262602022 @default.
- W1697326260 countsByYear W16973262602023 @default.
- W1697326260 crossrefType "journal-article" @default.
- W1697326260 hasAuthorship W1697326260A5019910284 @default.
- W1697326260 hasAuthorship W1697326260A5027071437 @default.
- W1697326260 hasAuthorship W1697326260A5057429129 @default.
- W1697326260 hasAuthorship W1697326260A5085831106 @default.
- W1697326260 hasBestOaLocation W16973262601 @default.
- W1697326260 hasConcept C115624301 @default.
- W1697326260 hasConcept C121332964 @default.
- W1697326260 hasConcept C170751736 @default.
- W1697326260 hasConcept C185592680 @default.
- W1697326260 hasConcept C192562407 @default.
- W1697326260 hasConcept C26873012 @default.
- W1697326260 hasConcept C61276311 @default.
- W1697326260 hasConcept C8010536 @default.
- W1697326260 hasConceptScore W1697326260C115624301 @default.
- W1697326260 hasConceptScore W1697326260C121332964 @default.
- W1697326260 hasConceptScore W1697326260C170751736 @default.
- W1697326260 hasConceptScore W1697326260C185592680 @default.
- W1697326260 hasConceptScore W1697326260C192562407 @default.
- W1697326260 hasConceptScore W1697326260C26873012 @default.
- W1697326260 hasConceptScore W1697326260C61276311 @default.
- W1697326260 hasConceptScore W1697326260C8010536 @default.
- W1697326260 hasFunder F4320306076 @default.
- W1697326260 hasIssue "6" @default.
- W1697326260 hasLocation W16973262601 @default.
- W1697326260 hasLocation W16973262602 @default.
- W1697326260 hasLocation W16973262603 @default.
- W1697326260 hasOpenAccess W1697326260 @default.
- W1697326260 hasPrimaryLocation W16973262601 @default.
- W1697326260 hasRelatedWork W1975746421 @default.
- W1697326260 hasRelatedWork W1979358532 @default.
- W1697326260 hasRelatedWork W2059529780 @default.
- W1697326260 hasRelatedWork W206040971 @default.
- W1697326260 hasRelatedWork W2079160218 @default.
- W1697326260 hasRelatedWork W2087912265 @default.
- W1697326260 hasRelatedWork W2170325392 @default.
- W1697326260 hasRelatedWork W2368972028 @default.