Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition
Authors
Keywords
-
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 4, Pages 2660-2669
Publisher
Royal Society of Chemistry (RSC)
Online
2014-12-02
DOI
10.1039/c4cp04414b
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- CRYSTAL14: A program for theab initioinvestigation of crystalline solids
- (2014) Roberto Dovesi et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets
- (2014) A. Erba et al. JOURNAL OF CHEMICAL PHYSICS
- Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets
- (2014) A. Mahmoud et al. JOURNAL OF CHEMICAL PHYSICS
- On combining temperature and pressure effects on structural properties of crystals with standard ab initio techniques
- (2014) A. Erba JOURNAL OF CHEMICAL PHYSICS
- Elasticity of grossular–andradite solid solution: an ab initio investigation
- (2014) Valentina Lacivita et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Low-temperature phase of BaTiO3: Piezoelectric, dielectric, elastic, and photoelastic properties fromab initiosimulations
- (2014) A. Mahmoud et al. PHYSICAL REVIEW B
- The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations
- (2013) A. Erba et al. JOURNAL OF CHEMICAL PHYSICS
- Zinc oxide nanotubes: An ab initio investigation of their structural, vibrational, elastic, and dielectric properties
- (2013) V. Lacivita et al. JOURNAL OF CHEMICAL PHYSICS
- The vibrational spectrum of CaCO3 aragonite: A combined experimental and quantum-mechanical investigation
- (2013) Cédric Carteret et al. JOURNAL OF CHEMICAL PHYSICS
- Beryllium Oxide Nanotubes and their Connection to the Flat Monolayer
- (2013) J. Baima et al. Journal of Physical Chemistry C
- Photoelasticity of crystals from theoretical simulations
- (2013) A. Erba et al. PHYSICAL REVIEW B
- Piezoelectricity of SrTiO3: Anab initiodescription
- (2013) A. Erba et al. PHYSICAL REVIEW B
- Elastic properties of six silicate garnet end members from accurate ab initio simulations
- (2013) Alessandro Erba et al. PHYSICS AND CHEMISTRY OF MINERALS
- Accurate dynamical structure factors fromab initiolattice dynamics: The case of crystalline silicon
- (2012) Alessandro Erba et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code
- (2009) W.F. Perger et al. COMPUTER PHYSICS COMMUNICATIONS
- Analytical stress tensor and pressure calculations with the CRYSTAL code
- (2009) K. Doll MOLECULAR PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now