FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1965593791> ?p ?o ?g. }

• W1965593791 endingPage "246001" @default.
• W1965593791 startingPage "246001" @default.
• W1965593791 abstract "The crystal structure, electronic and magnetic properties of LaMn(7)O(12) ((LaMn(3)(3+))(A)Mn(4)(3+)O(12)) are investigated by GGA (LSDA) and GGA + U (LSDA + U) (0.0 ≤ U ≤ 5.0 eV) methods. Based on two experimentally refined structures (distinguished by the distortion parameter Δ, namely S(I) (Δ = 8.5 × 10(-5)) and S(II) (Δ = 25.0 × 10(-4))), GGA and GGA + U with U < 3.0 eV calculations indicate that S(I) with a small distortion is the lowest-energy crystal structure while GGA + U with 3.0 ≤ U ≤ 5.0 eV calculations show that S(II) with a larger distortion is the ground-state crystal structure. Within the LSDA method, S(II) is always the ground-state structure no matter if U is considered or not. There are two independent magnetic sublattices: Mn(3+) within the A site and Mn(3+) within the B site. First, it is predicted that A-site Mn(3+) ions are preferably AFM-coupled in G-type (antiferromagnetically coupled in three directions). Based on this result, four magnetic configurations (FM-[Formula: see text], AFM1-[Formula: see text], AFM2-[Formula: see text] and AFM3-[Formula: see text]) are designed, and their total energies are calculated. Our results demonstrate that AFM2 and AFM3 are the lowest magnetic state, respectively, for S(I) and S(II). Correspondingly, LaMn(7)O(12) is metallic with no orbital ordering at AFM2 for S(I) while it is an insulator with orbital ordering at AFM3 for S(II). Thus, modulation of the distortion parameter Δ, e.g. by chemical doping, could be employed as a new avenue to induce a magnetic phase transition and the corresponding metal-to-insulator transition in LaMn(7)O(12)." @default.
• W1965593791 created "2016-06-24" @default.
• W1965593791 creator A5002246353 @default.
• W1965593791 creator A5032474565 @default.
• W1965593791 creator A5041976339 @default.
• W1965593791 creator A5059072221 @default.
• W1965593791 creator A5079773649 @default.
• W1965593791 date "2010-06-01" @default.
• W1965593791 modified "2023-09-25" @default.
• W1965593791 title "First-principles study of crystal structural stability and electronic and magnetic properties in LaMn₇O₁₂" @default.
• W1965593791 cites W1505697113 @default.
• W1965593791 cites W1970127494 @default.
• W1965593791 cites W1977700257 @default.
• W1965593791 cites W1978218540 @default.
• W1965593791 cites W1981368803 @default.
• W1965593791 cites W1994037189 @default.
• W1965593791 cites W1994096963 @default.
• W1965593791 cites W2009014069 @default.
• W1965593791 cites W2028549455 @default.
• W1965593791 cites W2036551370 @default.
• W1965593791 cites W2037825196 @default.
• W1965593791 cites W2042823081 @default.
• W1965593791 cites W2048553390 @default.
• W1965593791 cites W2052597426 @default.
• W1965593791 cites W2055245392 @default.
• W1965593791 cites W2060077763 @default.
• W1965593791 cites W2061992058 @default.
• W1965593791 cites W2063405604 @default.
• W1965593791 cites W2071056016 @default.
• W1965593791 cites W2073665258 @default.
• W1965593791 cites W2077250254 @default.
• W1965593791 cites W2077272898 @default.
• W1965593791 cites W2079804368 @default.
• W1965593791 cites W2080525703 @default.
• W1965593791 cites W2094986771 @default.
• W1965593791 cites W2117581782 @default.
• W1965593791 cites W2144655958 @default.
• W1965593791 cites W2157058142 @default.
• W1965593791 cites W2317402941 @default.
• W1965593791 cites W2318636697 @default.
• W1965593791 cites W2952492328 @default.
• W1965593791 cites W2953297778 @default.
• W1965593791 doi "https://doi.org/10.1088/0953-8984/22/24/246001" @default.
• W1965593791 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21393792" @default.
• W1965593791 hasPublicationYear "2010" @default.
• W1965593791 type Work @default.
• W1965593791 sameAs 1965593791 @default.
• W1965593791 citedByCount "5" @default.
• W1965593791 countsByYear W19655937912013 @default.
• W1965593791 countsByYear W19655937912018 @default.
• W1965593791 countsByYear W19655937912022 @default.
• W1965593791 crossrefType "journal-article" @default.
• W1965593791 hasAuthorship W1965593791A5002246353 @default.
• W1965593791 hasAuthorship W1965593791A5032474565 @default.
• W1965593791 hasAuthorship W1965593791A5041976339 @default.
• W1965593791 hasAuthorship W1965593791A5059072221 @default.
• W1965593791 hasAuthorship W1965593791A5079773649 @default.
• W1965593791 hasConcept C115624301 @default.
• W1965593791 hasConcept C121332964 @default.
• W1965593791 hasConcept C126780896 @default.
• W1965593791 hasConcept C145148216 @default.
• W1965593791 hasConcept C178790620 @default.
• W1965593791 hasConcept C184779094 @default.
• W1965593791 hasConcept C185592680 @default.
• W1965593791 hasConcept C18903297 @default.
• W1965593791 hasConcept C194257627 @default.
• W1965593791 hasConcept C199360897 @default.
• W1965593791 hasConcept C26873012 @default.
• W1965593791 hasConcept C2777299769 @default.
• W1965593791 hasConcept C2781285689 @default.
• W1965593791 hasConcept C41008148 @default.
• W1965593791 hasConcept C46362747 @default.
• W1965593791 hasConcept C49040817 @default.
• W1965593791 hasConcept C544153396 @default.
• W1965593791 hasConcept C69523127 @default.
• W1965593791 hasConcept C8010536 @default.
• W1965593791 hasConcept C86025842 @default.
• W1965593791 hasConcept C86803240 @default.
• W1965593791 hasConceptScore W1965593791C115624301 @default.
• W1965593791 hasConceptScore W1965593791C121332964 @default.
• W1965593791 hasConceptScore W1965593791C126780896 @default.
• W1965593791 hasConceptScore W1965593791C145148216 @default.
• W1965593791 hasConceptScore W1965593791C178790620 @default.
• W1965593791 hasConceptScore W1965593791C184779094 @default.
• W1965593791 hasConceptScore W1965593791C185592680 @default.
• W1965593791 hasConceptScore W1965593791C18903297 @default.
• W1965593791 hasConceptScore W1965593791C194257627 @default.
• W1965593791 hasConceptScore W1965593791C199360897 @default.
• W1965593791 hasConceptScore W1965593791C26873012 @default.
• W1965593791 hasConceptScore W1965593791C2777299769 @default.
• W1965593791 hasConceptScore W1965593791C2781285689 @default.
• W1965593791 hasConceptScore W1965593791C41008148 @default.
• W1965593791 hasConceptScore W1965593791C46362747 @default.
• W1965593791 hasConceptScore W1965593791C49040817 @default.
• W1965593791 hasConceptScore W1965593791C544153396 @default.
• W1965593791 hasConceptScore W1965593791C69523127 @default.
• W1965593791 hasConceptScore W1965593791C8010536 @default.
• W1965593791 hasConceptScore W1965593791C86025842 @default.

• next