Elucidating Structure–Spectral Property Relationships of Negative Thermal Expansion Zr2(WO4)(PO4)2: A First-Principles Study with Experimental Validation | Zendy

Philippe F. Weck | Zendy; Eunja Kim | Zendy; Margaret Ellen Gordon | Zendy; Jeffery A. Greathouse | Zendy; Stephen Meserole | Zendy; Charles R. Bryan | Zendy

Open Access

Elucidating Structure–Spectral Property Relationships of Negative Thermal Expansion Zr₂(WO₄)(PO₄)₂: A First-Principles Study with Experimental Validation

Author(s) -

Philippe F. Weck,

Eunja Kim,

Margaret Ellen Gordon,

Jeffery A. Greathouse,

Stephen Meserole,

Charles R. Bryan

Publication year - 2019

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.9b06069

Subject(s) - raman spectroscopy , phonon , infrared , materials science , density functional theory , tungstate , perturbation theory (quantum mechanics) , infrared spectroscopy , thermal expansion , characterization (materials science) , negative thermal expansion , analytical chemistry (journal) , chemistry , computational chemistry , nanotechnology , condensed matter physics , optics , physics , organic chemistry , quantum mechanics , metallurgy

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