Works matching DE "SPIN-density functional theory"
Results: 36
Anisotropic spin-density distribution and magnetic anisotropy of strained La<sub>1−x</sub>Sr<sub>x</sub>MnO<sub>3</sub> thin films: angle-dependent x-ray magnetic circular dichroism.
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- NPJ Quantum Materials, 2018, v. 3, n. 1, p. N.PAG, doi. 10.1038/s41535-018-0077-4
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Spin-filtering and charge- and spin-switching effects in a quantum wire with periodically attached stubs.
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- European Physical Journal B: Condensed Matter, 2014, v. 87, n. 1, p. 1, doi. 10.1140/epjb/e2013-40963-7
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Charge exchange response functions of finite nucleus by an extended Skyrme interaction.
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- International Journal of Modern Physics E: Nuclear Physics, 2014, v. 23, n. 6, p. -1, doi. 10.1142/S0218301314600015
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A Note on First Order Phase Transitions in the Continuum.
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- Journal of Statistical Physics, 2016, v. 162, n. 4, p. 994, doi. 10.1007/s10955-015-1435-2
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Derivation of ligand σ- and π-bonding parameters from density functional theoretical calculations and Bursten ligand additivity relationships.
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- Journal of Coordination Chemistry, 2013, v. 66, n. 9, p. 1477, doi. 10.1080/00958972.2013.781161
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Commensurate and incommensurate states of a spin density wave in a quasi-two-dimensional system with an anisotropic energy spectrum in an external magnetic field of arbitrary direction relative to magnetization.
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- Journal of Experimental & Theoretical Physics, 2013, v. 116, n. 4, p. 641, doi. 10.1134/S1063776113040080
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First-principles calculations for the structural and electronic properties of GaAsP nanowires.
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- International Journal of Modern Physics C: Computational Physics & Physical Computation, 2016, v. 27, n. 3, p. -1, doi. 10.1142/S0129183116500352
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Theoretical Studies on Ethylene Selectivity in the Oxidative.
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- Chemistry - An Asian Journal, 2013, v. 8, n. 11, p. 2605, doi. 10.1002/asia.201300410
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Coexistence of spin density wave and superconductivity in BaFe<sub>2-x</sub>Co<sub>x</sub>As<sub>2</sub>.
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- Latin-American Journal of Physics Education, 2015, v. 9, n. 2, p. 1
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Thermodynamic Properties of Superconductor with Competing Spin-Density Wave and Charge-Density Wave.
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- Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 8, p. 2299, doi. 10.1007/s10948-015-3049-y
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First-Principle Calculations of Structural, Electronic, and Magnetic Properties of Cubic Al TMN (TM = V, Cr, Mn, Fe).
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- Journal of Superconductivity & Novel Magnetism, 2014, v. 27, n. 12, p. 2647, doi. 10.1007/s10948-014-2616-y
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Pairing Symmetry, Spin Gap, and More in HTSC Cuprates.
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- Journal of Superconductivity & Novel Magnetism, 2014, v. 27, n. 9, p. 1973, doi. 10.1007/s10948-014-2549-5
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Unconventional Magnetic Transition in NaCoO ( x>0.7) Single Crystals.
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- Journal of Superconductivity & Novel Magnetism, 2014, v. 27, n. 5, p. 1235, doi. 10.1007/s10948-013-2406-y
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Electrical and Magnetic Behaviour of PrFeAsO $_{\mathbf{0.8}}$F $_{\mathbf{0.2}}$ Superconductor.
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- Journal of Superconductivity & Novel Magnetism, 2014, v. 27, n. 3, p. 687, doi. 10.1007/s10948-013-2358-2
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A First Principle Study of CoCrZ (Z=In, Sn, Sb) Based on FP-LAPW Method.
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- Journal of Superconductivity & Novel Magnetism, 2013, v. 26, n. 12, p. 3507, doi. 10.1007/s10948-013-2224-2
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Magnetic Correlations in Some FeNi/Cu(100) Multilayers.
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- Journal of Superconductivity & Novel Magnetism, 2013, v. 26, n. 5, p. 1983, doi. 10.1007/s10948-012-2062-7
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A structural DFT study of MM, GG, MG, and GM alginic acid disaccharides and reactivity of the MG metallic complexes.
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- Journal of Molecular Modeling, 2018, v. 24, n. 11, p. 1, doi. 10.1007/s00894-018-3845-y
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Theoretical investigation of the mechanism for the reductive dehalogenation of methyl halides mediated by the Co<sup>I</sup>-based compounds cobalamin and cobaloxime.
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- Journal of Molecular Modeling, 2018, v. 24, n. 11, p. 1, doi. 10.1007/s00894-018-3844-z
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Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study.
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- Journal of Molecular Modeling, 2018, v. 24, n. 11, p. 1, doi. 10.1007/s00894-018-3843-0
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On the best partitioning of the density functional energy.
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- Journal of Molecular Modeling, 2018, v. 24, n. 11, p. 1, doi. 10.1007/s00894-018-3842-1
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The iron-sulfur core in Rieske proteins is not symmetric.
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- Journal of Biological Inorganic Chemistry (JBIC), 2014, v. 19, n. 8, p. 1287, doi. 10.1007/s00775-014-1185-7
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Anisotropy of Magnetoresistance in HoB<sub>12</sub>.
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- Acta Physica Polonica: A, 2017, v. 131, n. 4, p. 976, doi. 10.12693/APhysPolA.131.976
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Temperature Dependence of a Dielectric Relaxation in Weakly Polar Ferrofluids.
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- Acta Physica Polonica: A, 2017, v. 131, n. 4, p. 943, doi. 10.12693/APhysPolA.131.943
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Angular Magnetoresistance of a Possible Kondo Insulator CeOs<sub>4</sub>Sb<sub>12</sub> Measured at Ultra-Low Temperatures.
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- Acta Physica Polonica: A, 2016, v. 130, n. 2, p. 600, doi. 10.12693/APhysPolA.130.600
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Weakening of the spin density wave gap at low temperatures in single crystals.
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- Physica Status Solidi (B), 2016, v. 253, n. 2, p. 340, doi. 10.1002/pssb.201552463
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Spectral separation of optical spin based on antisymmetric Fano resonances.
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- Scientific Reports, 2015, p. 16585, doi. 10.1038/srep16585
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Distinct itinerant spin-density waves and local-moment antiferromagnetism in an intermetallic ErPd<sub>2</sub>Si<sub>2</sub> single crystal.
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- Scientific Reports, 2015, p. 7968, doi. 10.1038/srep07968
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Electronic instabilities of the AA-honeycomb bilayer.
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- Annalen der Physik, 2014, v. 526, n. 9/10, p. 366, doi. 10.1002/andp.201400088
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Electronic Structure for Europium Chalcogenides with Modified Becke–Johnson Potential Plus an On-Site Coulomb U (mBJ+U).
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- SPIN (2010-3247), 2018, v. 8, n. 4, p. N.PAG, doi. 10.1142/S2010324718500157
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Metallic Ferromagnetic Property of Mn-Doped BP Semiconductors.
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- Journal of Molecular & Engineering Materials, 2021, v. 9, n. 1n2, p. 1, doi. 10.1142/S2251237321300011
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Stable Organic (Bi)Radicals by Delocalization of Spin Density into the Electron‐Poor Chromophore Core of Isoindigo.
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- Chemistry - A European Journal, 2018, v. 24, n. 14, p. 3420, doi. 10.1002/chem.201706002
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A Systematic Study of Structural, Magneto-Electronic and Thermodynamic Properties of Mg<sub>1−x</sub>Cr<sub>x</sub>Se DMS Alloys in the Rock–Salt Phase for Spintronic Applications.
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- Journal of Electronic Materials, 2019, v. 48, n. 5, p. 3248, doi. 10.1007/s11664-019-07043-7
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Control of Exchange Interactions in π Dimers of 6-Oxophenalenoxyl Neutral π Radicals: Spin-Density Distributions and Multicentered-Two-Electron Bonding Governed by Topological Symmetry and Substitution at the 8-Position.
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- Chemistry - A European Journal, 2013, v. 19, n. 36, p. 11904, doi. 10.1002/chem.201301783
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Spin polarized density functional theory calculations of the electronic structure and magnetism of the 112 type iron pnictide compound EuFeAs2.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-91301-4
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Structural investigations in BaFe<sub>2 − x</sub>Ru<sub> x</sub>As<sub>2</sub> as a function of Ru and temperature.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2015, v. 71, n. 1, p. 61, doi. 10.1107/S2052520614023634
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Skyrmions in a density wave state: A mechanism for chiral superconductivity.
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- Modern Physics Letters B, 2015, v. 29, n. 16, p. 1, doi. 10.1142/S0217984915400539
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