First-principles lattice dynamical study of lanthanum nitride under pseudopotential approximation

Computational Materials Science

Volumn 49, Issue 4, 2010, Pages 910-915

  Gupta, Sanjay D ^a   Gupta, Sanjeev K ^a   Jha, Prafulla K ^a,b  

^a BHAVNAGAR UNIVERSITY   (India)

^b INSTITUTE OF THEORETICAL PHYSICS   (China)

Author keywords

Density of states; Electronic structure; First principles; Phonons; Structure

Indexed keywords

BULK MODULUS; CESIUM CHLORIDE; DENSITY OF STATE; DENSITY OF STATES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GAUSSIAN PSEUDOPOTENTIALS; HIGH PRESSURE; LANTHANUM NITRIDE; LATTICE DYNAMICAL PROPERTIES; LATTICE PARAMETERS; PHONON DISPERSION CURVES; PSEUDOPOTENTIALS; ROCKSALT; STABLE STRUCTURES;

CESIUM; CESIUM COMPOUNDS; CHLORINE COMPOUNDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LANTHANUM; LANTHANUM ALLOYS; NITRIDES; PHONONS;

MECHANICAL PROPERTIES;

EID: 77955513365     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.06.046     Document Type: Article

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