Crystal
Bonding and Charge Density:
- Zuo, J.M., Measurements of electron densities in solids: a real-space view
of electronic structure and bonding in inorganic crystals, Reports
On Progress In Physics 67, 2053-2103 (2004)
- B. Jiang, J.M. Zuo, N. Jiang, M. O'keeffe and J.C.H. Spence, Charge density
and chemical bonding of rutile, TiO2, Acta Cryst.
A, 59, 341-350 ( 2003) PDF
- B Jiang, Zuo JM, Chen Q, Spence JCH, "Orbital ordering in LaMnO3: estimates
of structure factors and comparison of measurement methods", Acta
Cryst. A58: 4-11 ( 2002)
- Zhurova EA, Zuo JM, Tsirelson VG, "Topological analysis of electrostatic
potential in SrTiO3", J. Phys. Chem. Solids,
62 (12): 2143-2146 (2001)
- Dudarev, S. L., Peng, L. M., Savrasov, S. Y. and Zuo, J. M., Correlation
effects in the ground-state charge density of Mott insulating NiO: A comparison
of ab initio calculations and high-energy electron diffraction measurements:
Phys. Rev. B, 61, 2506-2512 (2000)
PDF
- J.M. Zuo, M. Kim, M. O'Keeffe and J.C. Spence, "Direct observation
of d-orbital holes and Cu-Cu bonding in Cu2O", Nature
401, 49-52 (1999)
- J.M. Zuo, M. OKeeffe, P. Rez and J.C. Spence. "Charge density of MgO: Implications
of precise new measurements for theory", Phys. Rev.
Lett. 78, 4777-4780 (1997) PDF
- J.M. Zuo, P. Blaha and K. Schwarz, "The theoretical charge density of silicon:
Experimental testing of exchange and correlation potentials", J.
of Physics-condensed Matter 9, 7541-7561 (1997) PDF