- Nanoscience and Nanostructures for Photovoltaics and Solar Fuels
- Berry phase effects on electronic properties Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge,
- On the Cover: One route to harvesting the energy of the sun involves learning to mimic
- Nobel Lecture: Electronic structure of matter--wave functions and density functionals*
- John von Neumann Institute for Computing Ab Initio Molecular Dynamics: Theory and
- Semiconductor Nanowires for Energy Conversion Allon I. Hochbaum*,
- Nanoscale Science, Engineering and Technology Research Directions
- This article was downloaded by:[CDL Journals Account] [CDL Journals Account]
- Structural dependence of electric field gradients in Pb,,Zr1-xTix...O3 from first principles Dandan Mao, Eric J. Walter, and Henry Krakauer*
- Electronic stiffness of a superconducting niobium nitride single crystal under pressure Xiao-Jia Chen, Viktor V. Struzhkin, Zhigang Wu, Ronald E. Cohen, Simon Kung,* Ho-kwang Mao, and Russell J. Hemley
- First-principles calculations of piezoelectricity and polarization rotation in Pb,,Zr0.5Ti0.5...O3 Zhigang Wu and Henry Krakauer
- The physical and chemical properties of heteronanotubes Paola Ayala*
- 1318 Brazilian Journal of Physics, vol. 36, no. 4A, December, 2006 A Bird's-Eye View of Density-Functional Theory
- Physics of thin-film ferroelectric oxides DPMC, University of Geneva, CH-1211, Geneva 4, Switzerland
- Charge Separation via Strain in Silicon Zhigang Wu,
- Time-dependent Density Functional Theory Miguel A. L. Marques and E. K. U. Gross
- Unified picture of the oxygen isotope effect in cuprate superconductors Ho-kwang Mao
- More accurate generalized gradient approximation for solids Zhigang Wu* and R. E. Cohen
- Oxygen isotope effect in Bi2Sr2Can-1CunO2n+4+ ,,n=1,2,3... single crystals Xiao-Jia Chen,1,2,3
- Orbital-dependent density functionals: Theory and applications Stephan Kmmel*
- Electron-hole excitations and optical spectra from first principles Michael Rohlfing
- Ab initio linear response and frozen phonons for the relaxor PbMg1/3Nb2/3O3 Narayani Choudhury,1,2
- Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics
- Reply to "Comment on `More accurate generalized gradient approximation for solids'" Zhigang Wu*
- Quantum Monte Carlo simulations of solids W. M. C. Foulkes
- First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm
- Weighted-density-approximation description of rare-earth trihydrides Zhigang Wu and R. E. Cohen
- Prediction of Ultra-High Aspect Ratio Nanowires from Self-Assembly
- Quantum Monte Carlo computations of phase stability, equations of state, and elasticity
- Quantum Monte Carlo calculations of the energy-level alignment at hybrid interfaces: Role of many-body effects
- Quantum Confinement and Electronic Properties of Tapered Silicon Nanowires Zhigang Wu,1,2
- Phonon-mediated superconducting transitions in layered cuprate superconductors Xiao-Jia Chen, Viktor V. Struzhkin, Zhigang Wu, Russell J. Hemley, and Ho-kwang Mao
- Trends in elasticity and electronic structure of transition-metal nitrides and carbides from first principles
- Hard superconducting nitrides Xiao-Jia Chen*, Viktor V. Struzhkin*, Zhigang Wu*, Maddury Somayazulu
- Comparing the weighted density approximation with the LDA and GGA for ground-state properties of ferroelectric perovskites
- Electronic structure of calcium hexaboride within the weighted density approximation Zhigang Wu,1
- PLEASE SCROLL DOWN FOR ARTICLE This article was downloaded by: [CDL Journals Account]
- First PrinciplesCalculations of Piezoelectricity in Tetragonal and MonoclinicPb(Zr0.5Ti0.5)O3
- Charge-transfer electrostatic model of compositional order in perovskite alloys Zhigang Wu and Henry Krakauer
- Charge Transfer Model of Atomic Ordering in Complex Perovskite Alloys
- non-interacting interacting
- Electronic excitations: density-functional versus many-body Green's-function approaches
- c 2007 by Jordan Eric Vincent. All rights reserved. QUANTUM MONTE CARLO CALCULATIONS OF THE ELECTRONIC
- Electronic structure of quantum dots Stephanie M. Reimann
- Colloquium: Structural, electronic, and transport properties of silicon nanowires
- Electronic and transport properties of nanotubes Jean-Christophe Charlier*
- About the Nanoscale Science, Engineering, and Technology Subcommittee The Nanoscale Science, Engineering, and Technology (NSET) Subcommittee is the interagency body
- 188 MRS BULLETIN VOLUME 31 MARCH 2006 Introduction
- Erratum: First-Principles Study of Piezoelectricity in PbTiO3 [Phys. Rev. Lett. 80, 004321 (1998)]
- Physics and Applications of Bismuth Ferrite By Gustau Catalan* and James F. Scott*
- nature materials | VOL 7 | FEBRUARY 2008 | www.nature.com/naturematerials 105 REVIEW ARTICLE
- Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional
- First-Principles WDA Calculations for Ferroelectric Materials
- Pressure-Induced Anomalous Phase Transitions and Colossal Enhancement of Piezoelectricity in PbTiO3
- Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory
- First principles analysis of the initial oxidation of Si(001) and Si(111) surfaces terminated with H and CH3
- PHYSICAL REVIEW B 85, 054108 (2012) First-principles investigations of ferroelectricity and piezoelectricity in BaTiO3/PbTiO3
- Quantum Monte Carlo computations of phase stability, equations of state, and elasticity
