Works (21)
Updated: July 5th, 2023 15:49
2011 journal article
Density Functional Investigation of the Difference in the Magnetic Structures of the Layered Triangular Antiferromagnets CuFeO2 and AgCrO2
CHEMISTRY OF MATERIALS, 23(18), 4181–4185.
author keywords: layered triangular antiferromagnet; CuFeO2; ferroelectricity; spiral spin; spin exchange; density functional analysis
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Density Functional Theory Analysis of the Interplay between Jahn-Teller Instability, Uniaxial Magnetism, Spin Arrangement, Metal-Metal Interaction, and Spin-Orbit Coupling in Ca3CoMO6 (M = Co, Rh, Ir)
INORGANIC CHEMISTRY, 50(5), 1758–1766.
TL;DR:
This analysis reveals an intimate interplay between Jahn-Teller instability, uniaxial magnetism, spin arrangement, metal-metal interaction, and spin-orbit coupling in governing the magnetic and electronic properties of these oxides.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Single-ion anisotropy, Dzyaloshinskii-Moriya interaction, and negative magnetoresistance the spin-1/2 pyrochlore R2V2O7
PHYSICAL REVIEW B, 83(17).
open access via link.aps.org (publisher PDF)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
Spin/Charge Redistributions and Oxygen Atom Displacements Induced by Spin Flip and Hole Doping in the CuO2 Layer of High-Temperature Superconductors
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 25(1), 55–59.
author keywords: High temperature superconductivity; Spin-charge; Lattice coupling
UN Sustainable Development Goal Categories
16. Peace, Justice and Strong Institutions
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Analysis of the Magnetic Structure and Ferroelectric Polarization of Monoclinic MnSb2S4 by Density Functional Theory Calculations
INORGANIC CHEMISTRY, 49(23), 10956–10959.
TL;DR:
This work explored the origin of the observed noncollinear spin arrangement of MnSb(2)S(4) by evaluating its spin exchanges to find that spin exchanges are frustrated not only within each MnS( 4) chain but also between adjacent MnS (4) chains, and predicts that it is a multiferroic with a ferroelectric polarization along the chain direction.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms
Applied Physics Letters, 96(10).
Source: NC State University Libraries
Added: August 6, 2018
2010 journal article
Ferroelectricity in Perovskites with s(0) A-Site Cations: Toward Near-Room-Temperature Multiferroics
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 49(9), 1603–1606.
author keywords: density functional calculations; ferroelectric distortion; indium; Jahn-Teller distortion; perovskite phases
TL;DR:
Materials is based on perovskites, ABO3, with two different cations A and B, in which corner-sharing BO6 octahedra form the three-dimen- sional lattice with every B8 cube containing one A cation.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(16), 5704–5710.
TL;DR:
The authors' calculations predict that GaTi(3)VS(8) is a ferromagnetic half-metal, and this prediction was confirmed by magnetotransport experiments performed on polycrystalline samples of GaTi (3) VS(8), which reveal a large negative magnetoresistance.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
On the Importance of the Interplaquette Spin Exchanges in Na3RuO4: Density Functional Theory Analysis of the Spin Exchange and Magnetic Properties
INORGANIC CHEMISTRY, 49(6), 3025–3028.
TL;DR:
The spin-lattice of Na(3)RuO(4) is evaluated by performing mapping analysis based on first-principles density functional theory calculations and examining how the trends in the calculated J(1)-J(5) are related to the distortions of the RuO(6) octahedra in the four-membered plaquettes.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Orbital order and partial electronic delocalization in a triangular magnetic metal Ag2MnO2
PHYSICAL REVIEW B, 81(9).
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO
Applied Physics Letters, 97(12).
Source: NC State University Libraries
Added: August 6, 2018
2010 conference paper
The layered ferromagnet Cs2AgF4: Antiferromagnetic inter-layer coupling driven by magnetic dipole-dipole interactions
Zeitschrift fur Kristallographie, 225(11), 498–503.
Source: NC State University Libraries
Added: August 6, 2018
2010 journal article
Theoretical Analysis of the Spin Exchange and Magnetic Dipole-Dipole Interactions Leading to the Magnetic Structure of Ni3TeO6
INORGANIC CHEMISTRY, 49(16), 7545–7548.
TL;DR:
The origin of the collinear antiferromagnetic magnetic structure of Ni(3)TeO(6) below 52 K was analyzed by calculating its spin exchanges on the basis of density functional calculations, and the cause for the parallelc-spin orientation found by calculating the spin-orbit coupling and magnetic dipole-dipole interaction energies.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Theoretical Investigation of the Magnetic Structure and Ferroelectric Polarization of the Multiferroic Langasite Ba3NbFe3Si2O14
CHEMISTRY OF MATERIALS, 22(18), 5290–5295.
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
Thermodynamically stable single-side hydrogenated graphene
PHYSICAL REVIEW B, 82(16).
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2010 journal article
pi-Back-Donation Effect of the Cyanide Ligands on the Electron Correlation and Charge Transfer in Prussian Blue RbMn[Fe(CN)(6)]
INORGANIC CHEMISTRY, 49(7), 3086–3088.
TL;DR:
The temperature-induced charge transfer between the Mn and Fe sites in RbMn[Fe(CN)(6)] was analyzed by density functional theory calculations and indicates that the extent of electron correlation is much greater for the Mn(n+) ion than for the Fe( n+) ion.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2009 journal article
"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation
NANO LETTERS, 9(12), 4025–4030.
MeSH headings : Crystallization / methods; Graphite / chemistry; Hydrogen / chemistry; Macromolecular Substances / chemistry; Materials Testing; Molecular Conformation; Nanostructures / chemistry; Nanostructures / ultrastructure; Nanotechnology / methods; Particle Size; Surface Properties
TL;DR:
This study shows that narrow GNRs can be readily obtained from wide GNRs by partial hydrogenation, and the partially hydrogenated wide GNR have similar electronic and magnetic properties as those of the narrow GNR representing their graphene parts.
(via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018
2009 journal article
Density-functional analysis of spin exchange and ferroelectric polarization in AgCrO2
PHYSICAL REVIEW B, 80(10).
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2009 journal article
Magnetic states of zigzag graphene nanoribbons from first principles
Applied Physics Letters, 94(22).
Source: NC State University Libraries
Added: August 6, 2018
2009 journal article
Magnetism of semiconductor-based magnetic tunnel junctions under electric field from first principles
Applied Physics Letters, 94(25).
Source: NC State University Libraries
Added: August 6, 2018
2009 journal article
Origin of the Ising ferrimagnetism and spin-charge coupling in LuFe2O4
PHYSICAL REVIEW B, 80(13).
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
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