4.3 Article

First-Principles Investigations on Structural, Phonon, and Thermodynamic Properties of Cubic

Related references

Note: Only part of the references are listed.
Article Thermodynamics

Elastic Properties of Monoclinic at Finite Temperatures Via First Principles

Yan Cheng et al.

INTERNATIONAL JOURNAL OF THERMOPHYSICS (2014)

Article Materials Science, Multidisciplinary

First-principle study on structural and electronic properties of CeO2 and ThO2 under high pressures

Hong X. Song et al.

PHYSICAL REVIEW B (2013)

Article Materials Science, Multidisciplinary

Evidence of Coulomb correction and spin-orbit coupling in rare-earth dioxides CeO2, PrO2 and TbO2: An ab initio study

Mohammed Benali Kanoun et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2012)

Review Engineering, Electrical & Electronic

Structural, electronic and mechanical properties of RuO2 from first-principles calculations

N. Mehtougui et al.

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2012)

Article Nanoscience & Nanotechnology

Puzzling phonon dispersion curves and vibrational mode instability in superconducting MgCNi3

Prafulla K. Jha et al.

AIP ADVANCES (2012)

Article Materials Science, Multidisciplinary

Dependence of pressure on elastic, electronic and optical properties of CeO2 and ThO2: A first principles study

A. Boudjemline et al.

COMPUTATIONAL MATERIALS SCIENCE (2011)

Article Computer Science, Interdisciplinary Applications

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)

Article Chemistry, Multidisciplinary

Ground state and lattice dynamical study of ionic conductors CaF2, SrF2 and BaF2 using density functional theory

Himadri R. Soni et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2011)

Article Physics, Condensed Matter

Study of elastic properties of CeO2 by statistical moment method

Vu Van Hung et al.

PHYSICA B-CONDENSED MATTER (2011)

Article Materials Science, Multidisciplinary

Mechanical and electronic properties of CeO2, ThO2, and (Ce,Th)O2 alloys

C. Sevik et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Modeling of CeO2, Ce2O3, and CeO2-x in the LDA plus U formalism

D. A. Andersson et al.

PHYSICAL REVIEW B (2007)

Article Materials Science, Multidisciplinary

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)

Article Physics, Condensed Matter

First-principles study of elastic properties of CeO2, ThO2 and PoO2

V. Kanchana et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2006)

Article Materials Science, Multidisciplinary

Ab initio pressure-dependent vibrational and dielectric properties of CeO2

Tanju Gurel et al.

PHYSICAL REVIEW B (2006)

Article Chemistry, Physical

Thermal expansion and Debye temperature of rare earth-doped ceria

T Hisashige et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2006)

Article Materials Science, Multidisciplinary

Phonon spectra and vibrational mode instability of MgCNi3 -: art. no. 214502

PK Jha

PHYSICAL REVIEW B (2005)

Article Materials Science, Multidisciplinary

First-principles study of rare-earth oxides

L Petit et al.

PHYSICAL REVIEW B (2005)

Article Chemistry, Physical

Bulk modulus of CeO2 and PrO2 -: An experimental and theoretical study

L Gerward et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2005)

Article Materials Science, Multidisciplinary

Taming multiple valency with density functionals: A case study of defective ceria

S Fabris et al.

PHYSICAL REVIEW B (2005)

Article Computer Science, Interdisciplinary Applications

GIBBS:: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

MA Blanco et al.

COMPUTER PHYSICS COMMUNICATIONS (2004)

Article Physics, Multidisciplinary

Quantum origin of the oxygen storage capability of ceria

NV Skorodumova et al.

PHYSICAL REVIEW LETTERS (2002)

Article Multidisciplinary Sciences

Alternative energy technologies

MS Dresselhaus et al.

NATURE (2001)

Article Materials Science, Multidisciplinary

Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles -: art. no. 115108

NV Skorodumova et al.

PHYSICAL REVIEW B (2001)

Review Physics, Multidisciplinary

Phonons and related crystal properties from density-functional perturbation theory

S Baroni et al.

REVIEWS OF MODERN PHYSICS (2001)

Review Chemistry, Physical

Physical, chemical and electrochemical properties of pure and doped ceria

M Mogensen et al.

SOLID STATE IONICS (2000)