Lattice dynamics of PbTe polymorphs from first principles

Computational Materials Science

Volumn 56, Issue , 2012, Pages 18-24

  Kong, Fanjie ^a   Liu, Yanhua ^a   Wang, Baolin ^a   Wang, Yanzong ^b   Wang, Lili ^c  

^a YANCHENG INSTITUTE OF TECHNOLOGY   (China)

^b HUAIYIN INSTITUTE OF TECHNOLOGY   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Electronic structure; First principle calculation; Lattice dynamics; PbTe polymorphs; Thermodynamics

Indexed keywords

B2 PHASE; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES; GROUP THEORY; INFRARED AND RAMAN SPECTRA; OPTICAL PHONONS; PBTE; PHONON DENSITY OF STATE; PHONON DISPERSION CURVES; TEMPERATURE RANGE; THERMOELECTRIC PROPERTIES; VIA FIRST; VIBRATIONAL MODES;

DEBYE TEMPERATURE; ELECTRONIC STRUCTURE; LATTICE VIBRATIONS; PHONONS; PLATES (STRUCTURAL COMPONENTS); TERNARY SYSTEMS; THERMODYNAMICS; THERMOELECTRICITY;

SOLIDS;

EID: 84862778670     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.12.030     Document Type: Article

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