Changhoon Lee

发表

Density functional theory investigation of the electronic structure and thermoelectric properties of layered MoS2, MoSe2 and their mixed-layer compound

J. Shim, Changhoon Lee, Jisook Hong, 2014 .

Spin-Peierls Distortion of TiPO4 Causing a Transition from a Magnetic to a Nonmagnetic Insulating State and Its Effect on the Thermoelectric Properties: Density Functional Theory Analysis.

W. Son, J. Shim, M. Whangbo, 2022, Inorganic chemistry.

Organic–inorganic hybrid perovskites ABI3 (A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluation

A. Stroppa, J. Shim, M. Whangbo, 2015 .

[Cu(HF2)2 (pyrazine)]n: a rectangular antiferromagnetic lattice with a spin exchange path made up of two different FHF- bridges.

S. Blundell, J. Schlueter, R. McDonald, 2011, Angewandte Chemie.

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

Changhoon Lee, Myung-Hwan Whangbo, Jürgen Köhler, 2008, J. Comput. Chem..

Metal Anions in Metal-Rich Compounds and Polar Intermetallics†

J. Köhler, M. Whangbo, Changhoon Lee, 2011 .

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 AE5T3 (AE = Ca, Sr; T = Au, Ag, Hg, Cd, Zn)

J. Köhler, M. Whangbo, Changhoon Lee, 2010 .

Transition-metal anions in solids and their implications on bonding.

J. Köhler, M. Whangbo, Changhoon Lee, 2006, Angewandte Chemie.

On the origin of a band gap in compounds of diamond-like structures.

J. Köhler, M. Whangbo, Changhoon Lee, 2007, Inorganic chemistry.

Structural and Magnetic Properties of a New Type of Ordered Oxygen-Deficient Perovskite, KMnVO4

E. Gaudin, J. Darriet, M. Whangbo, 2007 .

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

J. Köhler, A. Simon, M. Whangbo, 2012 .

Chemical and hydrostatic pressure effect on charge density waves of SmNiC2

J. Shim, Jae Nyeong Kim, Changhoon Lee, 2013 .

CuBr2 – A New Multiferroic Material with High Critical Temperature

Maw-Kuen Wu, A. Simon, M. Whangbo, 2012, Advances in Materials.

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

J. Musfeldt, Zhenxian Liu, M. Whangbo, 2016, Inorganic chemistry.

Kinetics of coloration in photochromic organoammonium polyoxomolybdates.

M. Whangbo, S. Jobic, Changhoon Lee, 2009, Inorganic chemistry.

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

R. E. Del Sesto, S. Blundell, B. Scott, 2012, Inorganic chemistry.

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.

R. E. Del Sesto, S. Blundell, S. Lapidus, 2011, Inorganic chemistry.

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

R. E. Del Sesto, S. Blundell, S. Lapidus, 2012, Dalton transactions.

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

S. Blundell, J. Schlueter, R. McDonald, 2008 .

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

H. Xiang, M. Whangbo, E. Kan, 2010 .

Strong H...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.

S. Blundell, P. Sengupta, B. Twamley, 2009, Journal of the American Chemical Society.

Characterization of the antiferromagnetism in Ag(pyz)2(S2O8) (pyz = pyrazine) with a two-dimensional square lattice of Ag2+ ions.

S. Blundell, P. Sengupta, K. Stone, 2009, Journal of the American Chemical Society.

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

S. Blundell, P. Sengupta, Y. Qiu, 2010 .

Structure and magnetic properties of oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice.

L. Cario, B. Corraze, E. Janod, 2008, Journal of the American Chemical Society.

Structure and Magnetic Properties of Oxychalcogenides A2F2Fe2OQ2 (A: Sr, Ba; Q: S, Se) with Fe2O Square Planar Layers Representing an Antiferromagnetic Checkerboard Spin Lattice.

L. Cario, B. Corraze, E. Janod, 2008 .

Magnetic properties and energy-mapping analysis.

Xingao Gong, Myung-Hwan Whangbo, Hyun-Joo Koo, 2013, Dalton transactions.

Seebeck Coefficients of Layered BiCuSeO Phases: Analysis of Their Hole-Density Dependence and Quantum Confinement Effect

Chan Park, J. Shim, M. Whangbo, 2017 .

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.

H. Xiang, Z. Hiroi, M. Whangbo, 2012, Inorganic chemistry.

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

M. Josse, A. Guiet, M. Maglione, 2012 .

Stuffed Graphite‐Like vs. Stuffed Diamond‐Like Structures of the 18 Valence Electron Compounds REAuSn (RE: Sc, Y, La—Nd, Sm, Gd—Lu)

J. Koehler, M. Whangbo, Changhoon Lee, 2008 .

Stuffed Graphite‐like vs. Stuffed Diamond‐like Structures of the 18 Valence Electron Compounds REAuSn (RE = Sc, Y, La‐Nd, Sm, Gd‐Lu)

J. Köhler, M. Whangbo, Changhoon Lee, 2007 .

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

W. Son, J. Shim, M. Whangbo, 2016 .

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

M. Whangbo, Changhoon Lee, K. H. Lee, 2009 .

On the nature of the spin frustration in the CuO2 ribbon chains of LiCuVO4: crystal structure determination at 1.6 K, magnetic susceptibility analysis, and density functional evaluation of the spin exchange constants.

G. McIntyre, M. Whangbo, R. Kremer, 2011, Inorganic chemistry.

Peer-reviewed Publications

M. Lumsden, Z. Islam, J. Musfeldt, 2008 .

Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms

Jinlong Yang, H. Xiang, M. Whangbo, 2010 .

Enhancing the Thermoelectric Properties of Layered Transition-Metal Dichalcogenides 2H-MQ2 (M = Mo, W; Q = S, Se, Te) by Layer Mixing: Density Functional Investigation

J. Shim, M. Whangbo, Changhoon Lee, 2013 .

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

J. Köhler, A. Simon, M. Whangbo, 2011 .

Ternary selenides A2Sb4Se8 (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

W. Son, J. Shim, M. Whangbo, 2020, RSC advances.

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

J. Shim, M. Whangbo, Changhoon Lee, 2014 .

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

J. Shim, M. Whangbo, Y. Lim, 2018, AIP Advances.

On the high magnetic-ordering temperature of the 5d magnetic oxide Ca3LiOsO6 crystallizing in a trigonal crystal structure: density functional analysis.

M. Whangbo, E. Kan, Changhoon Lee, 2011, Inorganic chemistry.

Density functional analysis of the magnetic structures of Sr2MGe2O7 (M=Mn, Co)

M. Whangbo, Changhoon Lee, H. Koo, 2012 .

Bader net charge analysis on doping effects of Sb in SnSe2 and related charge transport properties

J. Shim, Jinwoo Choe, Y. Lim, 2020 .

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

J. Köhler, A. Simon, M. Whangbo, 2010 .

Atomically Thin Transition-Metal Dinitrides: High-Temperature Ferromagnetism and Half-Metallicity.

P. Jena, Haiping Wu, E. Kan, 2015, Nano letters.

Effect of magnetic dipole-dipole interactions on the spin orientation and magnetic ordering of the spin-ladder compound Sr3Fe2O5.

H. Xiang, M. Whangbo, Changhoon Lee, 2009, Inorganic chemistry.

Cooperative Jahn–Teller distortion leading to the spin-1/2 uniform antiferromagnetic chains in triclinic perovskites AgCuF3 and NaCuF3

J. Köhler, A. Simon, M. Whangbo, 2010 .

Peer-reviewed Publications

M. Lumsden, Z. Islam, J. Musfeldt, 2008 .

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

Myung-Hwan Whangbo, Fang Wu, Chuan Tian, 2010 .