2008 journal article

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

Journal of Computational Chemistry, 29(13), 2187–2209.

By: D. Dai, H. Xiang & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

On the anisotropy of the magnetic properties of CsYbZnSe3

Inorganic Chemistry, 47(5), 1687–1692.

By: G. Chan, C. Lee, D. Dai, M. Whangbo & J. Ibers

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

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

Inorganic Chemistry, 46(1), 213–220.

By: J. Manson, T. Lancaster, J. Schlueter, S. Blundell, M. Brooks, F. Pratt, C. Nygren, H. Koo, D. Dai, M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

On the relevance of an antiferromagnetic dimer model for the spin-gapped magnetic solids Cu(terpy)Mo2O7 and Cu(OH)(p-pyc)H2O

Inorganic Chemistry, 46(7), 2498–2502.

By: H. Koo, C. Lee, G. Wilson-Short, D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

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

Physical Chemistry Chemical Physics, 8(3), 340–346.

By: H. Lu, D. Dai, P. Yang & L. Li

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

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

Inorganic Chemistry, 45(14), 5501–5509.

By: H. Ben Yahia, E. Gaudin, J. Darriet, D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

Electronic structure analysis of the difference between Cs2AgF4 and Rb2MnF4 in their magnetic properties and single-crystal structure determination of Rb2MnF4

Chemistry of Materials, 18(14), 3281–3286.

By: D. Dai, M. Whangbo, J. Kohler, C. Hoch & A. Villesuzanne

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

On the conflicting pictures of magnetism for the frustrated triangular lattice antiferromagnet CuFeO2

Chemistry of Materials, 18(5), 1268–1274.

By: M. Whangbo, D. Dai, K. Lee & R. Kremer

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

On the disorder of the Cl atom position in and its probable effect on the magnetic properties of (CuCl)LaNb2O7

Inorganic Chemistry, 45(16), 6227–6234.

By: M. Whangbo & D. Dai

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

On the origin of the metallic and anisotropic magnetic properties of NaxCoO2 (x approximate to 0.75)

Inorganic Chemistry, 45(15), 5989–5995.

By: M. Whangbo, D. Dai & R. Kremer

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi-2(2-) anion in (K-crypt)(2)Bi-2 on the basis of relativistic electronic structure calculations

Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 109(8), 1675–1683.

By: D. Dai, M. Whangbo, A. Ugrinov, S. Sevov, F. Wang, L. Li, A. Villesuzanne, A. Alekseyev, H. Liebermann, R. Buenker

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

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

Inorganic Chemistry, 44(7), 2407–2413.

By: D. Dal, M. Whangbo, H. Koo, X. Rocquefelte, S. Jobic & A. Villesuzanne

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: Uniaxial magnetic properties of Ca3Co2O6 and Fe[C(SiMe3)(3)](2)

Inorganic Chemistry, 44(12), 4407–4414.

By: D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Dramatic variation of magnetic exchange through double end-on azide bridges in a series of ladder-like copper(II) coordination polymers

Inorganic Chemistry, 44(3), 638–648.

By: J. Woodward, R. Backov, K. Abboud, D. Dai, H. Koo, M. Whangbo, M. Meisel, D. Talham

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

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.

By: B. Huang, Y. Dai, R. Long, C. Yan & D. Dai

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Importance of supersuperexchange interactions in determining the dimensionality of magnetic properties. Determination of strongly interacting spin exchange paths in A(2)CU(PO4)(2) (A = Ba, Sr), ACuP(2)O(7) (Ba, Ca, Sr, Pb), CaCuGe2O6, and Cu2UO2(PO4)(2) o

Inorganic Chemistry, 44(12), 4359–4365.

By: H. Koo, D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

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

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

By: Y. Dai, D. Dai, C. Yan, B. Huang & S. Han

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

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.

By: Y. Dai, D. Dai, B. Huang & C. Yan

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Understanding the color properties of (C5H9NH3)(2)CuBr4 in high magnetic fields

Physical Review. B, Condensed Matter and Materials Physics, 71(17).

By: J. Woodward, J. Choi, J. Musfeldt, J. Haraldsen, X. Wei, H. Koo, D. Dai, M. Whangbo, C. Landee, M. Turnbull

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Classical spin and quantum-mechanical descriptions of geometric spin frustration

Journal of Chemical Physics, 121(2), 672–680.

By: D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Investigation of the incommensurate and commensurate magnetic superstructures of LiCuVO4 and CuO on the basis of the isotropic spin exchange and classical spin approximations

Inorganic Chemistry, 43(13), 4026–4035.

By: D. Dai, H. Koo & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

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

Applied Physics Letters, 84(11), 1895–1897.

By: Y. Dai, D. Dai, D. Liu, S. Han & B. Huang

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

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.

By: M. Whangbo, D. Dai & H. Koo

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Journal of Solid State Chemistry, 175(2), 384–388.

By: M. Whangbo, H. Koo, D. Dai & A. Villesuzanne

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Journal of Solid State Chemistry, 175(2), 341–347.

By: D. Dai, H. Koo & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Inorganic Chemistry, 42(12), 3898–3906.

By: M. Whangbo, H. Koo, D. Dai & D. Jung

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Solid State Communications, 125(7-8), 413–417.

By: M. Whangbo, D. Dai, H. Koo & S. Jobic

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Journal of Solid State Chemistry, 175(2), 353–358.

By: C. Soulard, X. Rocquefelte, S. Jobic, D. Dai, H. Koo & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Journal of Solid State Chemistry, 176(2), 417–481.

By: M. Whangbo, H. Koo & D. Dai

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Journal of Chemical Physics, 118(1), 29–39.

By: D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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.

By: Y. Dai, S. Han, B. Huang & D. Dai

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Solid State Communications, 126(3), 103–106.

By: Y. Dai, S. Han, D. Dai, Y. Zhang & Y. Qi

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

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

Diamond and Related Materials, 12(1), 15–19.

By: Y. Dai, B. Huang & D. Dai

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ(2) (Q = O, S, Se, Te)

Journal of Solid State Chemistry, 173(1), 114–121.

By: D. Dai, H. Koo, M. Whangbo, C. Soulard, X. Rocquefelte & S. Jobic

Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

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

Journal of Solid State Chemistry, 165(2), 345–358.

By: M. Whangbo, H. Koo, D. Dai & A. Villesuzanne

Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

Effect of metal-ligand bond lengths on superexchange interactions in Jahn-Teller d(4) ion systems: Spin dimer analysis of the magnetic structure of marokite CaMn2O4

Inorganic Chemistry, 41(21), 5575–5581.

By: M. Whangbo, H. Koo, D. Dai & D. Jung

Source: NC State University Libraries
Added: August 6, 2018

2001 journal article

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

Journal of Chemical Physics, 114(7), 2887–2893.

By: D. Dai & M. Whangbo

Source: NC State University Libraries
Added: August 6, 2018

2001 journal article

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

Chemical Physics, 271(1-2), 71–78.

By: Y. Dai, D. Dai & S. Ding

Source: NC State University Libraries
Added: August 6, 2018