标题
Thermoelastic properties ofα-iron from first-principles
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 91, Issue 10, Pages -
出版商
American Physical Society (APS)
发表日期
2015-03-06
DOI
10.1103/physrevb.91.104105
参考文献
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- (2014) Andris Gulans et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Impact of electronic correlations on the equation of state and transport inε-Fe
- (2014) L. V. Pourovskii et al. PHYSICAL REVIEW B
- Nonharmonic phonons inα-iron at high temperatures
- (2014) L. Mauger et al. PHYSICAL REVIEW B
- ElaStic: A tool for calculating second-order elastic constants from first principles
- (2013) Rostam Golesorkhtabar et al. COMPUTER PHYSICS COMMUNICATIONS
- Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals
- (2013) K. Lejaeghere et al. CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES
- Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems
- (2013) Burak Himmetoglu et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Ab initiocalculation of spin-dependent electron–phonon coupling in iron and cobalt
- (2013) Matthieu J Verstraete JOURNAL OF PHYSICS-CONDENSED MATTER
- Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results
- (2013) Laurids Schimka et al. PHYSICAL REVIEW B
- Effect of lattice vibrations on magnetic phase transition in bcc iron
- (2012) Junqi Yin et al. PHYSICAL REVIEW B
- Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron
- (2012) F. Körmann et al. PHYSICAL REVIEW B
- Quasiharmonic thermal elasticity of crystals: An analytical approach
- (2011) Zhongqing Wu et al. PHYSICAL REVIEW B
- First-principles study of electronic and structural properties of CuO
- (2011) Burak Himmetoglu et al. PHYSICAL REVIEW B
- A first-principles approach to finite temperature elastic constants
- (2010) Y Wang et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Harmonic and anharmonic properties of Fe and Ni: Thermal expansion, exchange-correlation errors, and magnetism
- (2010) Alison J. Hatt et al. PHYSICAL REVIEW B
- Static equation of state of bcc iron
- (2010) H. L. Zhang et al. PHYSICAL REVIEW B
- Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
- (2010) S. Baroni et al. Reviews in Mineralogy & Geochemistry
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
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- (2009) Huy-Viet Nguyen et al. PHYSICAL REVIEW B
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- (2008) F. Körmann et al. PHYSICAL REVIEW B
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
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