Changhoon Lee

Ternary selenides A(2)Sb(4)Se(8) (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb-Se-Se-Sb bridges

RSC ADVANCES, 10(24), 14415–14421.

Cause for the Orbital Ordering of Cs2AgF4 and Its Effect on Thermoelectric Properties

INORGANIC CHEMISTRY, 57(19), 11895–11900.

Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics

AIP ADVANCES, 8(11).

Magnetic structure of (C5H12N)CuBr3: origin of the uniform Heisenberg chain behavior and the magnetic anisotropy of the Cu2+ (S=1/2) ions

RSC ADVANCES, 6(27), 22722–22727.

Spin-Lattice Coupling in [Ni(HF2)(pyrazine)(2)]SbF6 Involving the HF2- Superexchange Pathway

INORGANIC CHEMISTRY, 55(23), 12172–12178.

Organic-inorganic hybrid perovskites ABI(3) (A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluationt

RSC ADVANCES, 5(96), 78701–78707.

Analysis of the Difference between the Pyroxenes LiFeSi2O6 and LiFeGe2O6 in Their Spin Order, Spin Orientation, and Ferrotoroidal Order

CHEMISTRY OF MATERIALS, 26(4), 1745–1750.

Evaluating the Curie-Weiss Temperature of a Magnetic System Composed of Nonequivalent Magnetic Ions in Terms of Spin Exchange Constants

BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 35(5), 1277–1278.

Enhancing the Thermoelectric Properties of Layered Transition-Metal Dichalcogenides 2H-MQ(2) (M = Mo, W; Q = S, Se, Te) by Layer Mixing: Density Functional Investigation

CHEMISTRY OF MATERIALS, 25(18), 3745–3752.

CuBr2-A New Multiferroic Material with High Critical Temperature

ADVANCED MATERIALS, 24(18), 2469–2473.

Increasing the Phase-Transition Temperatures in Spin-Frustrated Multiferroic MnWO4 by Mo Doping

CHEMISTRY OF MATERIALS, 24(2), 353–360.

Influence of HF2- geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF2)(pyz)(2)]PF6 (pyz = pyrazine)

Dalton Transactions (Cambridge, England : 2003), 41(24), 7235–7243.

Investigation of the spin exchange interactions and the magnetic structure of the high-temperature multiferroic CuBr2

PHYSICAL REVIEW B, 86(6).

Magnetic properties and energy-mapping analysis

DALTON TRANSACTIONS, 42(4), 823–853.

Optical Properties of the Orchid Colored Silver(II) Fluoride Cs2AgF4

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 638(11), 1792–1795.

Spin Reorientation in the Square-Lattice Antiferromagnets RMnAsO (R = Ce, Nd): Density Functional Analysis of the Spin-Exchange Interactions between the Rare-Earth and Transition-Metal Ions

INORGANIC CHEMISTRY, 51(12), 6890–6897.

[Ni(HF2)(3-Clpy)(4)]BF4 (py = pyridine): Evidence for spin exchange along strongly distorted F center dot center dot center dot H center dot center dot center dot F- bridges in a one-dimensional polymeric chain

Inorganic Chemistry, 51(14), 7520–7528.

Density functional analysis of the electronic structure of Cs9InO4: Evidence for the presence of a Cs- anion

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 226(7), 553–556.

Full Geometry Optimizations of Bond-Stretch Isomers of C-20(2+) Fullerene Dication by the Hybrid Density Functional B3LYP Methods

BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 32(1), 277–280.

Metal Anions in Metal-Rich Compounds and Polar Intermetallics

[Review of ]. European Journal of Inorganic Chemistry, (26), 3841–3847.

On the High Magnetic-Ordering Temperature of the 5d Magnetic Oxide Ca3LiOsO6 Crystallizing in a Trigonal Crystal Structure: Density Functional Analysis

INORGANIC CHEMISTRY, 50(9), 4182–4186.

Pressure-Induced Local Structure Distortions in Cu(pyz)F-2(H2O)(2)

INORGANIC CHEMISTRY, 50(13), 6347–6352.

Quasi-one-dimensional antiferromagnetism and multiferroicity in CuCrO4

PHYSICAL REVIEW B, 84(1).

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.

Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)(2)]X (pyz = pyrazine; X = PF6-, SbF6-) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions

INORGANIC CHEMISTRY, 50(13), 5990–6009.

[Cu(HF2)(2)(pyrazine)](n): A Rectangular Antiferromagnetic Lattice with a Spin Exchange Path Made Up of Two Different FHF- Bridges

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 50(7), 1573–1576.

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).

Ferromagnetically Coupled Shastry-Sutherland Quantum Spin Singlets in (CuCl)LaNb2O7

PHYSICAL REVIEW LETTERS, 105(16).

Magnetic excitations in infinite-layer antiferromagnetic insulator

Journal of the Physical Society of Japan, 79(3).

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

Applied Physics Letters, 97(12).

Spin-lattice interactions through the quantum critical transition in Cu(pyz)(NO3)(2)

PHYSICAL REVIEW B, 81(10).

Structure and Energetics of (C-60)(2)(2+) Conformers: Quantum Chemical Studies

BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 31(2), 457–460.

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

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

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

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

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.

Analysis of Electronic Structures and Chemical Bonding of Metal-rich Compounds. 2. Presence of Dimer (T-T)(4-) and Isolated T2- Anions in the Polar Intermetallic Cr5B3-Type Compounds AE(5)T(3) (AE = Ca, Sr; T = Au, Ag, Hg, Cd, Zn)

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 636(1), 36–40.

Characterization of the Antiferromagnetism in Ag(pyz)(2)(S2O8) (pyz = Pyrazine) with a Two-Dimensional Square Lattice of Ag2+ Ions

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(13), 4590-+.

Consequences of the intrachain dimer-monomer spin frustration and the interchain dimer-monomer spin exchange in the diamond-chain compound azurite Cu-3(CO3)(2)(OH)(2)

Journal of Physics. Condensed Matter, 21(39).

Density Functional Investigation of the Antiferromagnetic Ordering, Spin Orientation, and Ferroelectric Polarization of Rare-Earth Iron Borate TbFe3(BO3)(4)

CHEMISTRY OF MATERIALS, 21(12), 2534–2539.

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

PHYSICAL REVIEW B, 80(10).

Effect of Magnetic Dipole-Dipole Interactions on the Spin Orientation and Magnetic Ordering of the Spin-Ladder Compound Sr3Fe2O5

INORGANIC CHEMISTRY, 48(19), 9051–9053.

Magnetic structure and ferroelectric polarization of MnWO4 investigated by density functional calculations and classical spin analysis

PHYSICAL REVIEW B, 80(10).

Magnetoelastic Coupling through the Antiferromagnet-to-Ferromagnet Transition of Quasi-Two-Dimensional [Cu(HF2)(pyz)(2)]BF4 Using Infrared Spectroscopy

PHYSICAL REVIEW LETTERS, 103(15).

Spin fluctuations and orbital ordering in quasi-one-dimensional alpha-Cu(dca)(2)(pyz) {dca = dicyanamide = N(CN)(2)(-); pyz = pyrazine}, a molecular analogue of KCuF3

POLYHEDRON, 29(1), 514–520.

Strong H center dot center dot center dot F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF2)(pyrazine)(2)]SbF6, [Cu2F(HF)(HF2)(pyrazine)(4)](SbF6)(2), and [CuAg(H3F4)(pyrazine)(5)](SbF6)(2)

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(19), 6733–6747.

Structure related photocatalytic properties of TiO2

Bulletin of the Korean Chemical Society, 30(2), 402–404.

Symmetry-Dependent Strong Reduction of the Spin Exchange Interactions in Cs2CuCl4 by the 6p Orbitals of Cs+ Ions

INORGANIC CHEMISTRY, 48(9), 4165–4170.

Uptake effects of two electrons for relative stability and atomic structures of carbon cluster isomers of C-20: ab initio methods

Bulletin of the Korean Chemical Society, 30(2), 445–448.

Analysis of electronic structures and chemical bonding of metal-rich compounds. I. Density functional study of Pt metal, LiPt2, LiPt, and Li2Pt

JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2154–2160.

Characterization of the magnetic and structural properties of copper carbodiimide, CuNCN, by neutron diffraction and first-principles evaluations of its spin exchange interactions

JOURNAL OF PHYSICAL CHEMISTRY C, 112(29), 11013–11017.

Charge Order in LuFe2O4: Antiferroelectric Ground State and Coupling to Magnetism

PHYSICAL REVIEW LETTERS, 101(22).

Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)(2)(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths

CHEMISTRY OF MATERIALS, 20(24), 7408–7416.

Kinetics of Coloration in Photochromic Organoammonium Polyoxomolybdates

INORGANIC CHEMISTRY, 48(2), 574–580.

On the anisotropy of the magnetic properties of CsYbZnSe3

INORGANIC CHEMISTRY, 47(5), 1687–1692.

Structure and magnetic properties of oxychalcogenides A(2)F(2)Fe(2)OQ(2) (A = sr, ba; Q = s, se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130(26), 8261–8270.

Absence of a spiral magnetic order in Li2CuO2 containing one-dimensional CuO2 ribbon chains

PHYSICAL REVIEW B, 76(22).

IrIn7GeO8=[IrIn6](GeO4)(InO4) and compounds of the solid solution series [IrIn6](Ge1+xIn1-4x/O-3(8)) (0 <= x <= 0.75): First oxides containing [IrIn6] octahedra

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(9), 1464–1471.

On the electronic structure required for the uniaxial magnetic properties of the magnetic metal SrCo6O11

CHEMISTRY OF MATERIALS, 19(11), 2712–2714.

Predicting anisotropic electrical conductivities of a magnetic insulator on the basis of its magnetic properties

CHEMISTRY OF MATERIALS, 19(18), 4393–4395.

Structural and magnetic properties of a new type of ordered oxygen-deficient perovskite, KMnVO4

CHEMISTRY OF MATERIALS, 19(23), 5563–5569.

Stuffed graphite-like vs. stuffed diamond-like structures of the 18 valence electron compounds REAuSn (RE = sc, y, la-nd, sm, gd-lu)

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(15), 2631–2634.