The low coordination number of nitrogen in hard tungsten nitrides: a first-principles study
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
The low coordination number of nitrogen in hard tungsten nitrides: a first-principles study
Authors
Keywords
-
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 20, Pages 13397-13402
Publisher
Royal Society of Chemistry (RSC)
Online
2015-03-31
DOI
10.1039/c5cp00147a
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Nitrogen concentration driving the hardness of rhenium nitrides
- (2014) Zhonglong Zhao et al. Scientific Reports
- Structure and mechanical properties of tungsten mononitride under high pressure from first-principles calculations
- (2013) Jiaqian Qin et al. COMPUTATIONAL MATERIALS SCIENCE
- Theoretical study on tetragonal transition metal dinitrides from first principles calculations
- (2013) Haiyan Yan et al. JOURNAL OF ALLOYS AND COMPOUNDS
- Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
- (2013) Stefan Maintz et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Synthesis, Crystal Structure, and Elastic Properties of Novel Tungsten Nitrides
- (2012) Shanmin Wang et al. CHEMISTRY OF MATERIALS
- New developments in evolutionary structure prediction algorithm USPEX
- (2012) Andriy O. Lyakhov et al. COMPUTER PHYSICS COMMUNICATIONS
- Superhard transition metal tetranitrides: XN4 (X = Re, Os, W)
- (2012) Sezgin Aydin et al. JOURNAL OF MATERIALS RESEARCH
- How Evolutionary Crystal Structure Prediction Works—and Why
- (2011) Artem R. Oganov et al. ACCOUNTS OF CHEMICAL RESEARCH
- Modeling hardness of polycrystalline materials and bulk metallic glasses
- (2011) Xing-Qiu Chen et al. INTERMETALLICS
- Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
- (2011) Volker L. Deringer et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Vibrational properties of Re2N and Re3N compounds
- (2011) E. Deligoz et al. SOLID STATE COMMUNICATIONS
- Synthesis of Binary Transition Metal Nitrides, Carbides and Borides from the Elements in the Laser-Heated Diamond Anvil Cell and Their Structure-Property Relations
- (2011) Alexandra Friedrich et al. Materials
- Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional calculations
- (2010) Yanling Li et al. CHEMICAL PHYSICS LETTERS
- Intrinsic hardness of crystalline solids
- (2010) J. S. Tse Journal of Superhard Materials
- Nature of N−N Bonding within High-Pressure Noble-Metal Pernitrides and the Prediction of Lanthanum Pernitride
- (2010) Michael Wessel et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Novel Rhenium Nitrides
- (2010) Alexandra Friedrich et al. PHYSICAL REVIEW LETTERS
- Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
- (2010) A. R. Oganov et al. Reviews in Mineralogy & Geochemistry
- High-Pressure Synthesis of Tantalum Nitride Having Orthorhombic U2S3Structure
- (2009) Andreas Zerr et al. ADVANCED FUNCTIONAL MATERIALS
- First-principles study of W, WN, WN2, and WN3
- (2009) Lu Song et al. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Ultra-incompressible phases of tungsten dinitride predicted from first principles
- (2009) Hui Wang et al. PHYSICAL REVIEW B
- High-Pressure Phases of Nitrogen
- (2009) Chris J. Pickard et al. PHYSICAL REVIEW LETTERS
- Hardness of covalent compounds: Roles of metallic component and d valence electrons
- (2008) Xiaoju Guo et al. JOURNAL OF APPLIED PHYSICS
- Synthesis and characterization of nitrides of iridium and palladium
- (2008) Jonathan C. Crowhurst et al. JOURNAL OF MATERIALS RESEARCH
- Transition pathway ofCO2crystals under high pressures
- (2008) Atsushi Togo et al. PHYSICAL REVIEW B
- First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures
- (2008) Atsushi Togo et al. PHYSICAL REVIEW B
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started