The first principle studies of the structural and vibrational properties of solid β-HMX under compression

Molecular Physics

Volumn 106, Issue 21-23, 2008, Pages 2569-2580

  Lu, Lai Yu ^a,c   Wei, Dong Qing ^b,c   Chen, Xiang Rong ^a,d   Lian, Dan ^e   Ji, Guang Fu ^c   Zhang, Qing Ming ^c   Gong, Zi Zheng ^f  

^a SICHUAN UNIVERSITY   (China)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

^c BEIJING INSTITUTE OF TECHNOLOGY   (China)

^d INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^e LIAONING UNIVERSITY   (China)

^f CHINA ACADEMY OF SPACE TECHNOLOGY   (China)

Author keywords

HMX crystal; First principles calculations; Structure and vibrational frequencies under compression

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HIGH PRESSURE LIQUID CHROMATOGRAPHY; LATTICE CONSTANTS;

-HMX CRYSTAL; CELL VOLUMES; FIRST PRINCIPLES; FIRST PRINCIPLES CALCULATIONS; FREQUENCY SHIFTS; HIGH PRESSURES; LATTICE MODES; MOLECULAR GEOMETRIES; PRESSURE DEPENDENCES; STRUCTURE AND VIBRATIONAL FREQUENCIES UNDER COMPRESSION; VIBRATIONAL PROPERTIES;

CRYSTAL STRUCTURE;

EID: 57749091677     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802616343     Document Type: Article

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