Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
出版年份 2014 全文链接
标题
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 89, Issue 6, Pages -
出版商
American Physical Society (APS)
发表日期
2014-02-11
DOI
10.1103/physrevb.89.064302
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress
- (2013) Bartomeu Monserrat et al. PHYSICAL REVIEW B
- Temperature dependent effective potential method for accurate free energy calculations of solids
- (2013) Olle Hellman et al. PHYSICAL REVIEW B
- Anharmonic properties from a generalized third-orderab initioapproach: Theory and applications to graphite and graphene
- (2013) Lorenzo Paulatto et al. PHYSICAL REVIEW B
- First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds
- (2013) Ion Errea et al. PHYSICAL REVIEW LETTERS
- Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles
- (2012) Ion Errea et al. JOURNAL OF APPLIED PHYSICS
- Fast free-energy calculations for unstable high-temperature phases
- (2012) Nikolas Antolin et al. PHYSICAL REVIEW B
- Anharmonic suppression of charge density waves in 2H-NbS2
- (2012) M. Leroux et al. PHYSICAL REVIEW B
- Unraveling quantum mechanical effects in water using isotopic fractionation
- (2012) T. E. Markland et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Lattice instabilities in metallic elements
- (2012) Göran Grimvall et al. REVIEWS OF MODERN PHYSICS
- Temperature-driven α-to-β phase transformation in Ti, Zr and Hf from first-principles theory combined with lattice dynamics
- (2011) P. Souvatzis et al. EPL
- Pressure-Induced Formation of Noble Metal Hydrides
- (2011) Guoying Gao et al. Journal of Physical Chemistry C
- Giant anharmonic phonon scattering in PbTe
- (2011) O. Delaire et al. NATURE MATERIALS
- Superconducting high-pressure phase of platinum hydride from first principles
- (2011) Xiang-Feng Zhou et al. PHYSICAL REVIEW B
- Synthesis and properties of platinum hydride
- (2011) Thomas Scheler et al. PHYSICAL REVIEW B
- Lattice dynamics of anharmonic solids from first principles
- (2011) O. Hellman et al. PHYSICAL REVIEW B
- Anharmonic Stabilization of the High-Pressure Simple Cubic Phase of Calcium
- (2011) Ion Errea et al. PHYSICAL REVIEW LETTERS
- Predicted Formation of Superconducting Platinum-Hydride Crystals under Pressure in the Presence of Molecular Hydrogen
- (2011) Duck Young Kim et al. PHYSICAL REVIEW LETTERS
- Charge-Density Wave and Superconducting Dome inTiSe2from Electron-Phonon Interaction
- (2011) Matteo Calandra et al. PHYSICAL REVIEW LETTERS
- Comment on “Quantum Thermal Bath for Molecular Dynamics Simulation”
- (2011) Alexandre H. Barrozo et al. PHYSICAL REVIEW LETTERS
- Dammaket al.Reply:
- (2011) Hichem Dammak et al. PHYSICAL REVIEW LETTERS
- Giant anharmonicity suppresses superconductivity inAlH3under pressure
- (2010) Bruno Rousseau et al. PHYSICAL REVIEW B
- High-pressure crystal structures and superconductivity of Stannane (SnH4)
- (2010) G. Gao et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- General trend for pressurized superconducting hydrogen-dense materials
- (2010) D. Y. Kim et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Dynamical stability of body center cubic iron at the Earth's core conditions
- (2010) W. Luo et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Effect of dimensionality on the charge-density wave in few-layer2H-NbSe2
- (2009) Matteo Calandra et al. PHYSICAL REVIEW B
- Novel Structures and Superconductivity of Silane under Pressure
- (2009) Miguel Martinez-Canales et al. PHYSICAL REVIEW LETTERS
- Quantum Thermal Bath for Molecular Dynamics Simulation
- (2009) Hichem Dammak et al. PHYSICAL REVIEW LETTERS
- Nuclear Quantum Effects in Solids Using a Colored-Noise Thermostat
- (2009) Michele Ceriotti et al. PHYSICAL REVIEW LETTERS
- Vibrational thermodynamics of materials
- (2009) Brent Fultz PROGRESS IN MATERIALS SCIENCE
- Formation of transition metal hydrides at high pressures
- (2009) Olga Degtyareva et al. SOLID STATE COMMUNICATIONS
- The self-consistent ab initio lattice dynamical method
- (2008) P. Souvatzis et al. COMPUTATIONAL MATERIALS SCIENCE
- Fermi surface nesting and the origin of charge density waves in metals
- (2008) M. D. Johannes et al. PHYSICAL REVIEW B
- Superconducting High Pressure Phase of Germane
- (2008) Guoying Gao et al. PHYSICAL REVIEW LETTERS
- Ab InitioDescription of High-Temperature Superconductivity in Dense Molecular Hydrogen
- (2008) P. Cudazzo et al. PHYSICAL REVIEW LETTERS
- Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory
- (2008) P. Souvatzis et al. PHYSICAL REVIEW LETTERS
- Pressure-Induced Hydrogen-Dominant Metallic State in Aluminum Hydride
- (2008) Igor Goncharenko et al. PHYSICAL REVIEW LETTERS
- Superconductivity in Hydrogen Dominant Materials: Silane
- (2008) M. I. Eremets et al. SCIENCE
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish 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 More