Magnetic Exchange Interactions in Geometrically Frustrated Antiferromagnet of ZnCr2−xGaxO4
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4759-8
Abstract: In this work, the structural and magnetic properties in ZnCr2−xGaxO4 were investigated. In ZnCr2−xGaxO4, Ga3+ ions substitute partial Cr3+ ions and occupy the B sites. ZnCr2O4 undergoes a paramagnetic-antiferromagnetic transition at 12 K. In ZnCr2−xGaxO4,… read more here.
Keywords: magnetic exchange; zncr2; zncr2 xgaxo4; exchange interactions ... See more keywords
Establishment of half-metallicity, ferrimagnetic ordering and double exchange interactions in Ni-doped BiFeO3 – A first-principles study
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2016.12.034
Abstract: Abstract We report the results of our first principles calculations on the effect of nickel doping on the structural, magnetic and electronic properties of BiFeO3. It is revealed from our calculations that doping of Ni… read more here.
Keywords: exchange interactions; half metallicity; exchange; doped bifeo3 ... See more keywords
First principles study of the structural phase stability and magnetic order in various structural phases of Mn2FeGa
Sign Up to like & getrecommendations! Published in 2017 at "Intermetallics"
DOI: 10.1016/j.intermet.2017.12.010
Abstract: Abstract We investigate the structural and magnetic properties of Mn2FeGa for different phases (cubic, hexagonal and tetragonal) reported experimentally using density functional theory. The relative structural stabilities, and the possible phase transformation mechanisms are discussed… read more here.
Keywords: phase; exchange interactions; heusler like; hexagonal phase ... See more keywords
BEFORE TEOTIHUACAN—ALTICA, EXCHANGE, INTERACTIONS, AND THE ORIGINS OF COMPLEX SOCIETY IN THE NORTHEAST BASIN OF MEXICO
Sign Up to like & getrecommendations! Published in 2019 at "Ancient Mesoamerica"
DOI: 10.1017/s0956536118000305
Abstract: Abstract For several decades, little research has been directed towards understanding the beginnings of complex society in the Teotihuacan Valley. Recent archaeological investigations at the Early–Middle Formative site of Altica provide a fresh perspective on… read more here.
Keywords: exchange interactions; society; teotihuacan altica; complex society ... See more keywords
Magnetism and Heterogeneous Catalysis: In Depth on the Quantum Spin-Exchange Interactions in Pt3M (M = V, Cr, Mn, Fe, Co, Ni, and Y)(111) Alloys.
Sign Up to like & getrecommendations! Published in 2020 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.0c15353
Abstract: Bimetallic Pt-based alloys have drawn considerable attention in the last decades as catalysts in proton-exchange membrane fuel cells (PEMFCs) because they closely fulfill the two major requirements of high performance and good stability under operating… read more here.
Keywords: pt3m 111; exchange interactions; spin exchange; quantum spin ... See more keywords
Diastereoisomers of l-proline-linked trityl-nitroxide biradicals: synthesis and effect of chiral configurations on exchange interactions† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc00969d
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Science"
DOI: 10.1039/c8sc00969d
Abstract: The chiral configuration of the two radical parts is a crucial factor controlling the exchange interactions and DNP properties of trityl-nitroxide biradicals. read more here.
Keywords: trityl nitroxide; diastereoisomers proline; exchange interactions; proline linked ... See more keywords
Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Materials Chemistry C"
DOI: 10.1039/d1tc01083b
Abstract: Human know-how is crucial to cross-examine and challenge computations before trusting any result for modelling magnetic properties in molecule-based materials. read more here.
Keywords: pair exchange; molecule based; evaluating pair; pitfalls evaluating ... See more keywords
Magnetic exchange interactions and band gap bowing in NixMg1−xO (0.0 ≤ x ≤ 1.0): A GGA+U density functional study
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Applied Physics"
DOI: 10.1063/1.5126744
Abstract: We report variations in magnetic exchange interactions and energy bandgap of the Ni x Mg 1 − x O ( 0.0 ≤ x ≤ 1.0) system with a change in x using the first principle… read more here.
Keywords: density functional; exchange interactions; magnetic exchange; exchange ... See more keywords
Effect of magnetic, crystal field and exchange interactions on graphene system: a Monte Carlo study
Sign Up to like & getrecommendations! Published in 2017 at "Phase Transitions"
DOI: 10.1080/01411594.2016.1212196
Abstract: ABSTRACT In this article, we employ the classical Monte Carlo approach to study the magnetic properties of graphene system. We analyze the ground-state phase diagrams in the presence of external magnetic and crystal fields under… read more here.
Keywords: effect; crystal field; graphene system; exchange interactions ... See more keywords
Spin channel induced directional dependent spin exchange interactions between divacantly substituted Fe atoms in graphene
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.125435
Abstract: In this study, we investigate the isolated magnetic interactions between two identical Fe atoms divacantly-substituted into graphene. Using density functional theory, we simulated the electronic and magnetic properties for a supercell of graphene with spatial… read more here.
Keywords: divacantly substituted; exchange interactions; directional dependent; dependent spin ... See more keywords
Effective exchange interactions for bad metals and implications for iron-based superconductors
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.235113
Abstract: The experimentally observed bad metal behavior in parent iron pnictides and chalcogenides suggests that these systems contain strong electronic correlations and are on the verge of a metal-to-insulator transition. The magnetic excitations in this bad-metal… read more here.
Keywords: exchange; exchange interactions; interactions bad; effective exchange ... See more keywords