A mixed-space approach to first-principles calculations of phonon frequencies for polar materials

Journal of Physics Condensed Matter

Volumn 22, Issue 20, 2010, Pages

  Wang, Y ^a   Wang, J J ^a   Wang, W Y ^a   Mei, Z G ^a   Shang, S L ^a   Chen, L Q ^a   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; DIPOLE DIPOLE INTERACTIONS; DIRECT APPROACH; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORCE CONSTANTS; LINEAR-RESPONSE THEORY; PHONON FREQUENCIES; PHONON PROPERTIES; POLAR MATERIALS; REAL-SPACE; RECIPROCAL SPACE;

BORON NITRIDE; SILICON CARBIDE;

PHONONS;

EID: 77957243924     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/20/202201     Document Type: Article

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