Free-energy derivatives and structure optimisation within quasiharmonic lattice dynamics

MB Taylor, GD Barrera, NL Allan, THK Barron

Research output: Contribution to journal › Article (Academic Journal)

72 Citations (Scopus)

Translated title of the contribution	Free-energy derivatives and structure optimisation within quasiharmonic lattice dynamics
Original language	English
Pages (from-to)	14380 - 14390
Journal	Physical Review B: Condensed Matter and Materials Physics
Volume	56
DOIs	https://doi.org/10.1103/PhysRevB.56.14380
Publication status	Published - 1997

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@article{57352006389e4749b54d40fcf81df180,

title = "Free-energy derivatives and structure optimisation within quasiharmonic lattice dynamics",

author = "MB Taylor and GD Barrera and NL Allan and THK Barron",

year = "1997",

doi = "10.1103/PhysRevB.56.14380",

language = "English",

volume = "56",

pages = "14380 -- 14390",

journal = "Physical Review B: Condensed Matter and Materials Physics",

issn = "1098-0121",

publisher = "American Physical Society (APS)",

}

TY - JOUR

T1 - Free-energy derivatives and structure optimisation within quasiharmonic lattice dynamics

AU - Taylor, MB

AU - Barrera, GD

AU - Allan, NL

AU - Barron, THK

PY - 1997

Y1 - 1997

U2 - 10.1103/PhysRevB.56.14380

DO - 10.1103/PhysRevB.56.14380

M3 - Article (Academic Journal)

VL - 56

SP - 14380

EP - 14390

JO - Physical Review B: Condensed Matter and Materials Physics

JF - Physical Review B: Condensed Matter and Materials Physics

SN - 1098-0121

ER -