Related references
Note: Only part of the references are listed.First-principles study of cubane-type ZnO: Another ZnO polymorph
Shengli Zhang et al.
CHEMICAL PHYSICS LETTERS (2013)
Electron beam induced nanostructures and band gap tuning of ZnO thin films
K. Siraj et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2013)
Magnetic properties of ZnO(Co) nanocrystals
I. Kuryliszyn-Kudelska et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2013)
Electronic and optical properties of graphene and graphitic ZnO nanocomposite structures
Wei Hu et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
The effect of Al-doping on ZnO nanoparticles applied as catalyst support
Malte Behrens et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Microscopic view of the role of repeated polytypism in self-organization of hierarchical nanostructures
Ming Liu et al.
PHYSICAL REVIEW B (2013)
Electronic and optical properties of ZnO quantum dots under hydrostatic pressure
Zaiping Zeng et al.
PHYSICAL REVIEW B (2013)
Structure prediction and energy landscape exploration in the zinc oxide system
Dejan Zagorac et al.
Processing and Application of Ceramics (2013)
Identification of promising chemical systems for the synthesis of new materials structure types: An ab initio minimization data mining approach
Dejan Zagorac et al.
PROCESSING AND APPLICATION OF CERAMICS (2013)
Sterically Active Electron Pairs in Lead Sulfide? An Investigation of the Electronic and Vibrational Properties of PbS in the Transition Region Between the Rock Salt and the a-GeTe-Type Modifications
Dejan Zagorac et al.
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Structural, elastic, and polarization parameters and band structures of wurtzite ZnO and MgO
S-H Jang et al.
JOURNAL OF APPLIED PHYSICS (2012)
Energy Landscape Investigations Using the Prescribed Path Method in the ZnO System
Dejan Zagorac et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Ab initio and empirical energy landscapes of (MgF2)n clusters (n=3, 4)
S. Neelamraju et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Structural, electrical, and optical properties of hydrogen-doped ZnO films
Achim Kronenberger et al.
PHYSICAL REVIEW B (2012)
Comment on Stability of the Bulk Phase of Layered ZnO
Bog G. Kim
PHYSICAL REVIEW LETTERS (2012)
Structure Prediction for PbS and ZnO at Different Pressures and Visualization of the Energy Landscapes
D. Zagorac et al.
ACTA PHYSICA POLONICA A (2011)
Defect induced variation in vibrational and optoelectronic properties of nanocrystalline ZnO powders
Maja Scepanovic et al.
JOURNAL OF APPLIED PHYSICS (2011)
Structure direction in zinc oxide and related materials by cation substitution: an analogy with zeolites
Martijn A. Zwijnenburg et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
Structural characterization of self-assembled ZnO nanoparticles obtained by the sol-gel method from Zn(CH3COO)2•2H2O
D. Lukovic Golic et al.
NANOTECHNOLOGY (2011)
A possible new transition path for ZnO from B4 to B1
Fang-ying Zhang
PHYSICA B-CONDENSED MATTER (2011)
Computational study of the structural phases of ZnO
Mahlaga P. Molepo et al.
PHYSICAL REVIEW B (2011)
Ab initio structure prediction for lead sulfide at standard and elevated pressures
D. Zagorac et al.
PHYSICAL REVIEW B (2011)
Addressing chemical diversity by employing the energy landscape concept
Martin Jansen et al.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2010)
Surface of Zn-Mn-O and its role in room temperature ferromagnetism: An XPS analysis
Dusan Milivojevic et al.
APPLIED SURFACE SCIENCE (2010)
Molecular Precursor Route to a Metastable Form of Zinc Oxide
Carlos Lizandara Pueyo et al.
CHEMISTRY OF MATERIALS (2010)
Wurtzite-to-tetragonal structure phase transformation and size effect in ZnO nanorods
J. Wang et al.
JOURNAL OF APPLIED PHYSICS (2010)
Predicting solid compounds via global exploration of the energy landscape of solids on the ab initio level without recourse to experimental information
J. Christian Schoen et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2010)
Ab initio calculations of pressure-induced structural phase transitions of GeTe
Gap-Seok Do et al.
PHYSICAL REVIEW B (2010)
Phase transition in crystalline GeTe: Pitfalls of averaging effects
Paul Fons et al.
PHYSICAL REVIEW B (2010)
First-principles study of epitaxial strain as a method of B4→BCT stabilization in ZnO, ZnS, and CdS
Benjamin J. Morgan
PHYSICAL REVIEW B (2010)
Structural and electronic properties of ZnO under high pressure
Shouxin Cui et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2009)
Elastic properties and pressure induced transitions of ZnO polymorphs from first-principle calculations
M. Kalay et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2009)
Structural, electronic properties and stability of tungsten mono- and semi-carbides: A first principles investigation
Dmitrii V. Suetin et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2009)
Tetragonal high-pressure phase of ZnO predicted from first principles
Zhenwei Li et al.
PHYSICAL REVIEW B (2009)
Surface Effects in the Pressure-Induced Structural Transformation of a ZnO Nanorod
Johannes Frenzel et al.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE (2009)
Stability of alkali metal halide polymorphs as a function of pressure
Zeljko P. Cancarevic et al.
CHEMISTRY-AN ASIAN JOURNAL (2008)
VESTA:: a three-dimensional visualization system for electronic and structural analysis
Koichi Momma et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2008)
Zinc oxide: A case study in contemporary computational solid state chemistry
C. Richard A. Catlow et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Atomistic mechanisms of ZnO aggregation from ethanolic solution: Ion association, proton transfer, and self-organization
Agnieszka Kawska et al.
NANO LETTERS (2008)
Competing intermediates in the pressure-induced wurtzite to rocksalt phase transition in ZnO
Salah Eddine Boulfelfel et al.
PHYSICAL REVIEW B (2008)
On the structural stability of ZnO phases
Jan Wrobel et al.
SOLID STATE COMMUNICATIONS (2008)
CuO, ZrO2 and ZnO nanoparticles as antiwear additive in oil lubricants
A. Hernandez Battez et al.
WEAR (2008)
Laminates of zinc oxide and poly( amino acid) layers with enhanced mechanical performance
Peter Lipowsky et al.
NANOTECHNOLOGY (2007)
Observation of depolarized ZnO(0001) monolayers: Formation of unreconstructed planar sheets
C. Tusche et al.
PHYSICAL REVIEW LETTERS (2007)
ZnO: Material, physics and applications
C. Klingshirn
CHEMPHYSCHEM (2007)
Microscopic mechanism of the wurtzite-to-rocksalt phase transition of the group-III nitrides from first principles
Jin Cai et al.
PHYSICAL REVIEW B (2007)
Hydrogen multicentre bonds
Anderson Janotti et al.
NATURE MATERIALS (2007)
Novel phase transformation in ZnO nanowires under tensile loading
Ambarish J. Kulkarni et al.
PHYSICAL REVIEW LETTERS (2006)
Analytic bond-order potential for atomistic simulations of zinc oxide
Paul Erhart et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2006)
First-principles study of ground- and excited-state properties of MgO, ZnO, and CdO polymorphs
A. Schleife et al.
PHYSICAL REVIEW B (2006)
An ab initio periodic study of NiO supported at the Pd(100) surface. Part 1: The perfect epitaxial monolayer
AM Ferrari et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape
H Sowa et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2006)
CMPZ -: an algorithm for the efficient comparison of periodic structures
R Hundt et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2006)
Structural and electronic properties of ZnO under high pressures
B Amrani et al.
SOLID STATE COMMUNICATIONS (2006)
Composition-dependent band gap in ZnSxSe1-x: a combined experimental and theoretical study
T Homann et al.
SOLID STATE SCIENCES (2006)
A comprehensive review of ZnO materials and devices -: art. no. 041301
U Ozgür et al.
JOURNAL OF APPLIED PHYSICS (2005)
Rietveld refinement study of the pressure dependence of the internal structural parameter u in the wurtzite phase of ZnO -: art. no. 212103
HZ Liu et al.
PHYSICAL REVIEW B (2005)
Ab initio investigations of optical properties of the high-pressure phases of ZnO
J Sun et al.
PHYSICAL REVIEW B (2005)
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
R Dovesi et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Growth of ZnO thin films - experiment and theory
F Claeyssens et al.
JOURNAL OF MATERIALS CHEMISTRY (2005)
Structure prediction of high-pressure phases for alkali metal sulfides
JC Schön et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
First-principles study of the wurtzite-to-rocksalt homogeneous transformation in ZnO: A case of a low-transformation barrier
S Limpijumnong et al.
PHYSICAL REVIEW B (2004)
ZnO nanowire growth and devices
YW Heo et al.
MATERIALS SCIENCE & ENGINEERING R-REPORTS (2004)
Analytical Hartree-Fock gradients with respect to the cell parameter for systems periodic in three dimensions
K Doll et al.
THEORETICAL CHEMISTRY ACCOUNTS (2004)
Effects of dopants and hydrogen on the electrical conductivity of ZnO
Z Zhou et al.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2004)
High-pressure X-ray structural study of BeO and ZnO to 200 GPa
Y Mori et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2004)
Local structure of condensed zinc oxide -: art. no. 104101
F Decremps et al.
PHYSICAL REVIEW B (2003)
Structural reconstruction of hexagonal to cubic ZnO films on Pt/Ti/SiO2/Si substrate by annealing
SK Kim et al.
APPLIED PHYSICS LETTERS (2003)
Photoluminescence of polycrystalline ZnO under different annealing conditions
TB Hur et al.
JOURNAL OF APPLIED PHYSICS (2003)
Hierarchical ZnO nanostructures
JY Lao et al.
NANO LETTERS (2002)
Low-activation solid-state syntheses by reducing transport lengths to atomic scales as demonstrated by case studies on AgNO3 and AgO
D Fischer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code
B Civalleri et al.
CHEMICAL PHYSICS LETTERS (2001)
Implementation of analytical Hartree-Fock gradients for periodic systems
K Doll
COMPUTER PHYSICS COMMUNICATIONS (2001)
Crystal structure of GeTe and Ge2Sb2Te5 meta-stable phase
T Nonaka et al.
THIN SOLID FILMS (2000)
LDA and GGA calculations for high-pressure phase transitions in ZnO and MgO
JE Jaffe et al.
PHYSICAL REVIEW B (2000)
Growth and characterization of hypothetical zinc-blende ZnO films on GaAs(001) substrates with ZnS buffer layers
ABMA Ashrafi et al.
APPLIED PHYSICS LETTERS (2000)