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Volumn 114, Issue 19, 2015, Pages

Understanding anharmonicity in fcc materials: From its origin to ab initio strategies beyond the quasiharmonic approximation

(4) Glensk, A a Grabowski, B a Hickel, T a Neugebauer, J a

a MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTATION THEORY; IRIDIUM; LEAD; PHONONS; SAMPLING;

ANHARMONIC CONTRIBUTIONS; ANHARMONICITIES; DFT CALCULATION; FCC MATERIALS; MACROSCOPIC SYSTEMS; PAIRWISE INTERACTION; PHONON-PHONON INTERACTIONS; STATISTICAL SAMPLING;

DENSITY FUNCTIONAL THEORY;

EID: 84929597471 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.114.195901 Document Type: Article

Times cited : (132)

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