Dadi Dai

Effects of spin‐orbit coupling on magnetic properties of discrete and extended magnetic systems

Dai, D., Xiang, H., & Whangbo, M. H. (2008, May 16). Journal of Computational Chemistry.

On the Anisotropy of the Magnetic Properties of CsYbZnSe₃

Chan, G. H., Lee, C., Dai, D., Whangbo, M.-H., & Ibers, J. A. (2008, February 8). Inorganic Chemistry.

On the Relevance of an Antiferromagnetic Dimer Model for the Spin-Gapped Magnetic Solids Cu(terpy)Mo₂O₇ and Cu(OH)(p-pyc)H₂O

Koo, H.-J., Lee, C., Wilson-Short, G. B., Dai, D., & Whangbo, M.-H. (2007, March 10). Inorganic Chemistry.

Characterization of the Crystal and Magnetic Structures of the Mixed-Anion Coordination Polymer Cu(HCO₂)(NO₃)(pyz) {pyz = Pyrazine} by X-ray Diffraction, ac Magnetic Susceptibility, dc Magnetization, Muon-Spin Relaxation, and Spin Dimer Analysis

Manson, J. L., Lancaster, T., Schlueter, J. A., Blundell, S. J., Brooks, M. L., Pratt, F. L., … Whangbo, M.-H. (2006, December 7). Inorganic Chemistry.

Comparison of the Crystal Structures and Magnetic Properties of the Low- and High-Temperature Forms of AgCuPO₄:  Crystal Structure Determination, Magnetic Susceptibility Measurements, and Spin Dimer Analysis

Yahia, H. B., Gaudin, E., Darriet, J., Dai, D., & Whangbo, M.-H. (2006, June 7). Inorganic Chemistry.

Electronic Structure Analysis of the Difference between Cs₂AgF₄ and Rb₂MnF₄ in Their Magnetic Properties and Single-Crystal Structure Determination of Rb₂MnF₄

Dai, D., Whangbo, M.-H., Köhler, J., Hoch, C., & Villesuzanne, A. (2006, June 14). Chemistry of Materials.

On the Conflicting Pictures of Magnetism for the Frustrated Triangular Lattice Antiferromagnet CuFeO₂

Whangbo, M.-H., Dai, D., Lee, K.-S., & Kremer, R. K. (2006, February 8). Chemistry of Materials.

On the Disorder of the Cl Atom Position in and Its Probable Effect on the Magnetic Properties of (CuCl)LaNb₂O₇

Whangbo, M.-H., & Dai, D. (2006, July 11). Inorganic Chemistry.

On the Origin of the Metallic and Anisotropic Magnetic Properties of Na_xCoO₂ (x ≈ 0.75)

Whangbo, M.-H., Dai, D., & Kremer, R. K. (2006, June 15). Inorganic Chemistry.

Analysis of the Effect of Spin−Orbit Coupling on the Electronic Structure and Excitation Spectrum of the Bi₂^2- Anion in (K-crypt)₂Bi₂ on the Basis of Relativistic Electronic Structure Calculations

Dai, D., Whangbo, M.-H., Ugrinov, A., Sevov, S. C., Wang, F., Li, L., … Buenker, R. J. (2005, February 4). The Journal of Physical Chemistry A.

Analysis of the Spin Exchange Interactions and the Ordered Magnetic Structures of Lithium Transition Metal Phosphates LiMPO₄ (M = Mn, Fe, Co, Ni) with the Olivine Structure

Dai, D., Whangbo, M.-H., Koo, H.-J., Rocquefelte, X., Jobic, S., & Villesuzanne, A. (2005, February 26). Inorganic Chemistry.

Analysis of the Uniaxial Magnetic Properties of High-Spin d⁶ Ions at Trigonal Prism and Linear Two-Coordinate Sites:  Uniaxial Magnetic Properties of Ca₃Co₂O₆ and Fe[C(SiMe₃)₃]₂

Dai, D., & Whangbo, M.-H. (2005, May 18). Inorganic Chemistry.

Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis

Lu, H., Dai, D., Yang, P., & Li, L. (2005, November 14). Physical Chemistry Chemical Physics.

Dramatic Variation of Magnetic Exchange through Double End-on Azide Bridges in a Series of Ladder-Like Copper(II) Coordination Polymers

Woodward, J. D., Backov, R. V., Abboud, K. A., Dai, D., Koo, H.-J., Whangbo, M.-H., … Talham, D. R. (2005, January 13). Inorganic Chemistry.

Fermi-energy and minimum diameter for metallic silver cluster

International Journal of Modern Physics. B, Condensed Matter Physics, Statistical Physics, Applied Physics, 19(15-17), 2404–2408.

Importance of Supersuperexchange Interactions in Determining the Dimensionality of Magnetic Properties. Determination of Strongly Interacting Spin Exchange Paths in A₂Cu(PO₄)₂ (A = Ba, Sr), ACuP₂O₇ (Ba, Ca, Sr, Pb), CaCuGe₂O₆, and Cu₂UO₂(PO₄)₂ on the Basis of Qualitative Spin Dimer Analysis

Koo, H.-J., Dai, D., & Whangbo, M.-H. (2005, May 14). Inorganic Chemistry.

N-type electric conductivity of nitrogen-doped ultrananocrystalline diamond films

Physical Review. B, Condensed Matter and Materials Physics, 71(7).

Size-dependent metal-nonmetal change of groups IB and IIB metal clusters

European Physical Journal. D, Atomic, Molecular and Optical Physics, 34(03-Jan), 105–107.

Understanding the color properties of(C5H9NH3)2CuBr4in high magnetic fields

Woodward, J. D., Choi, J., Musfeldt, J. L., Haraldsen, J. T., Wei, X., Koo, H.-J., … Turnbull, M. M. (2005, May 20). Physical Review B.

Classical spin and quantum-mechanical descriptions of geometric spin frustration

Dai, D., & Whangbo, M.-H. (2004, June 23). The Journal of Chemical Physics.

Investigation of the Incommensurate and Commensurate Magnetic Superstructures of LiCuVO₄ and CuO on the Basis of the Isotropic Spin Exchange and Classical Spin Approximations

Dai, D., Koo, H.-J., & Whangbo, M.-H. (2004, May 28). Inorganic Chemistry.

Mechanism of p-type-to-n-type conductivity conversion in boron-doped diamond

Dai, Y., Dai, D., Liu, D., Han, S., & Huang, B. (2004, March 8). Applied Physics Letters.

Spin dimer and classical spin analyses of the ordered magnetic structures of alkali iron pyrophosphates NaFeP2O7 and LiFeP2O7

Dalton Transactions (Cambridge, England : 2003), (19), 3019–3025.

A discussion on the apparently puzzling structural, electrical and magnetic properties of BaVS3

Whangbo, M.-H., Koo, H.-J., Dai, D., & Villesuzanne, A. (2003, October 15). Journal of Solid State Chemistry.

Analysis of the spin exchange interactions of ferromagnetic CdVO3 in terms of first principles and qualitative electronic structure calculations

Dai, D., Koo, H.-J., & Whangbo, M.-H. (2003, September 3). Journal of Solid State Chemistry.

Interpretation of the magnetic structures of Cu2Te2O5X2 (X = Cl, Br) and Ca3.1Cu0.9RuO6 on the basis of electronic structure considerations: Cases for strong super-superexchange interactions involving Cu2+ ions

Investigations of the oxidation states and spin distributions in Ca3Co2O6 and Ca3CoRhO6 by spin-polarized electronic band structure calculations

Whangbo, M.-H., Dai, D., Koo, H.-J., & Jobic, S. (2003, January 30). Solid State Communications.

Metal–ligand bonding and rutile- versus CdI2-type structural preference in platinum dioxide and titanium dioxide

Soulard, C., Rocquefelte, X., Jobic, S., Dai, D., Koo, H.-J., & Whangbo, M.-H. (2003, September 3). Journal of Solid State Chemistry.

Spin exchange interactions and magnetic structures of extended magnetic solids with localized spins: theoretical descriptions on formal, quantitative and qualitative levels

Whangbo, M.-H., Koo, H.-J., & Dai, D. (2003, September 3). Journal of Solid State Chemistry.

Study on n-type doping with phosphorous in diamond by means of density functional theory

Materials Science & Engineering. B, Solid-State Materials for Advanced Technology, 99(03-Jan), 531–535.

Surface passivant effects on electronic states of the band edge in Si-nanocrystals

Dai, Y., Han, S., Dai, D., Zhang, Y., & Qi, Y. (2003, March 25). Solid State Communications.

The role of dangling-bond, hydrogen and adsorbate in diamond surface conduction

Dai, Y., Huang, B., & Dai, D. (2003, January 1). Diamond and Related Materials.

Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ2 (Q=O, S, Se, Te)

Dai, D., Koo, H.-J., Whangbo, M.-H., Soulard, C., Rocquefelte, X., & Jobic, S. (2003, April 24). Journal of Solid State Chemistry.

Analysis of the Electron Localization, the Anisotropy of Electrical Conductivity, the Orbital Ordering, and Spin-Exchange Interactions in BaVS3 on the Basis of First Principles and Semi-empirical Electronic Structure Calculations

Whangbo, M.-H., Koo, H.-J., Dai, D., & Villesuzanne, A. (2002, May 1). Journal of Solid State Chemistry.

Effect of Metal−Ligand Bond Lengths on Superexchange Interactions in Jahn−Teller d⁴ Ion Systems:  Spin Dimer Analysis of the Magnetic Structure of Marokite CaMn₂O₄

Whangbo, M.-H., Koo, H.-J., Dai, D., & Jung, D. (2002, September 21). Inorganic Chemistry.

Spin exchange interactions of a spin dimer: Analysis of broken-symmetry spin states in terms of the eigenstates of Heisenberg and Ising spin Hamiltonians

Dai, D., & Whangbo, M.-H. (2002, December 19). The Journal of Chemical Physics.

Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions

Dai, D., & Whangbo, M.-H. (2001, February 15). The Journal of Chemical Physics.

Study on multiphoton processes in intense laser fields using the quadratic anharmonic Lie algebraic hamiltonian of diatomic molecule

Dai, Y., Dai, D., & Ding, S.-liang. (2001, September 1). Chemical Physics.