First-principles calculations of zone-center phonons in CsB3O5: Comparison with experiment

Physica B: Condensed Matter

Volumn 403, Issue 23-24, 2008, Pages 4189-4195

  Wang, Hui ^a   Zhu, Jian ^a   Wang, Yufang ^a   Cao, Xuewei ^a   Feng, Min ^a   Lan, Guoxiang ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

CsB3O5; DFT; Vibrational spectra

Indexed keywords

CESIUM; MOLECULAR SPECTROSCOPY;

A PLANES; BRILLOUIN ZONES; COMPARISON WITH EXPERIMENTS; CSB3O5; DFT; FIRST-PRINCIPLES CALCULATIONS; LOCAL DENSITIES; NONLINEAR OPTICAL MATERIALS; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES;

OPTICAL MATERIALS;

EID: 56449110802     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2008.09.011     Document Type: Article

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