Erjun Kan

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.

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.

Single-ion anisotropy, Dzyaloshinskii-Moriya interaction, and negative magnetoresistance the spin-1/2 pyrochlore R2V2O7

PHYSICAL REVIEW B, 83(17).

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.

Analysis of the Magnetic Structure and Ferroelectric Polarization of Monoclinic MnSb2S4 by Density Functional Theory Calculations

INORGANIC CHEMISTRY, 49(23), 10956–10959.

Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms

Applied Physics Letters, 96(10).

Ferroelectricity in Perovskites with s(0) A-Site Cations: Toward Near-Room-Temperature Multiferroics

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 49(9), 1603–1606.

Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(16), 5704–5710.

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.

Orbital order and partial electronic delocalization in a triangular magnetic metal Ag2MnO2

PHYSICAL REVIEW B, 81(9).

Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO

Applied Physics Letters, 97(12).

The layered ferromagnet Cs2AgF4: Antiferromagnetic inter-layer coupling driven by magnetic dipole-dipole interactions

Zeitschrift fur Kristallographie, 225(11), 498–503.

Theoretical Analysis of the Spin Exchange and Magnetic Dipole-Dipole Interactions Leading to the Magnetic Structure of Ni3TeO6

INORGANIC CHEMISTRY, 49(16), 7545–7548.

Theoretical Investigation of the Magnetic Structure and Ferroelectric Polarization of the Multiferroic Langasite Ba3NbFe3Si2O14

CHEMISTRY OF MATERIALS, 22(18), 5290–5295.

Thermodynamically stable single-side hydrogenated graphene

PHYSICAL REVIEW B, 82(16).

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.

"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation

NANO LETTERS, 9(12), 4025–4030.

Density-functional analysis of spin exchange and ferroelectric polarization in AgCrO2

PHYSICAL REVIEW B, 80(10).

Magnetic states of zigzag graphene nanoribbons from first principles

Applied Physics Letters, 94(22).

Magnetism of semiconductor-based magnetic tunnel junctions under electric field from first principles

Applied Physics Letters, 94(25).

Origin of the Ising ferrimagnetism and spin-charge coupling in LuFe2O4

PHYSICAL REVIEW B, 80(13).