Related references
Note: Only part of the references are listed.First-Principles Investigations on Structural, Phonon, and Thermodynamic Properties of Cubic
Zhen-Wei Niu et al.
INTERNATIONAL JOURNAL OF THERMOPHYSICS (2014)
Ab initio phase stability at high temperatures and pressures in the V-Cr system
A. Landa et al.
PHYSICAL REVIEW B (2014)
Constraints on the phase diagram of molybdenum from first-principles free-energy calculations
C. Cazorla et al.
PHYSICAL REVIEW B (2012)
GIBBS2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation
A. Otero-de-la-Roza et al.
COMPUTER PHYSICS COMMUNICATIONS (2011)
Temperature-driven α-to-β phase transformation in Ti, Zr and Hf from first-principles theory combined with lattice dynamics
P. Souvatzis et al.
EPL (2011)
Elastic constants, phonon density of states, and thermal properties of UO2
M. Sanati et al.
PHYSICAL REVIEW B (2011)
Dynamical stability of body center cubic iron at the Earth's core conditions
Wei Luo et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
PHON: A program to calculate phonons using the small displacement method
Dario Alfe
COMPUTER PHYSICS COMMUNICATIONS (2009)
Mechanical and electronic properties of CeO2, ThO2, and (Ce,Th)O2 alloys
C. Sevik et al.
PHYSICAL REVIEW B (2009)
Elasticity of hexagonal-closed-packed cobalt at high pressure and temperature: A quasiharmonic case
Daniele Antonangeli et al.
PHYSICAL REVIEW LETTERS (2008)
Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory
P. Souvatzis et al.
PHYSICAL REVIEW LETTERS (2008)
Modeling of CeO2, Ce2O3, and CeO2-x in the LDA plus U formalism
D. A. Andersson et al.
PHYSICAL REVIEW B (2007)
First-principles LDA plus U and GGA plus U study of cerium oxides: Dependence on the effective U parameter
Christoph Loschen et al.
PHYSICAL REVIEW B (2007)
Ab initio pressure-dependent vibrational and dielectric properties of CeO2
Tanju Gurel et al.
PHYSICAL REVIEW B (2006)
Heat capacity measurements on uranium-cerium mixed oxides by differential scanning calorimetry
RV Krishnan et al.
THERMOCHIMICA ACTA (2006)
Evaluating the accuracy of the quasiharmonic approximation
CE Chang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
GIBBS:: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
MA Blanco et al.
COMPUTER PHYSICS COMMUNICATIONS (2004)
Quantum origin of the oxygen storage capability of ceria
NV Skorodumova et al.
PHYSICAL REVIEW LETTERS (2002)
Alternative energy technologies
MS Dresselhaus et al.
NATURE (2001)
Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles -: art. no. 115108
NV Skorodumova et al.
PHYSICAL REVIEW B (2001)
Phonons and related crystal properties from density-functional perturbation theory
S Baroni et al.
REVIEWS OF MODERN PHYSICS (2001)
Ab initio thermodynamics of metals:: Al and W -: art. no. 064305
A Debernardi et al.
PHYSICAL REVIEW B (2001)
Physical, chemical and electrochemical properties of pure and doped ceria
M Mogensen et al.
SOLID STATE IONICS (2000)