The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations

Journal of Chemical Physics

Volumn 138, Issue 5, 2013, Pages

  Erba, A ^a   Ferrabone, M ^a   Baima, J ^a   Orlando, R ^a   Rerat M ^b   Dovesi, R ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BORON NITRIDE NANOTUBES; DIFFERENT SPEED; ELASTIC AND PIEZOELECTRIC CONSTANTS; INFRARED INTENSITY; INFRARED-ACTIVE PHONON; NORMAL MODES; OPTICAL MODES; OSCILLATOR STRENGTHS; POLARIZABILITY TENSOR; QUANTUM-CHEMICAL METHODS; QUANTUM-CHEMICAL SIMULATIONS; SINGLE-WALLED; TWO-COMPONENT; UNIT CELLS; VIBRATION FREQUENCY; VIBRATION PROPERTIES; VIBRATION SPECTRA; VIBRATIONAL CONTRIBUTIONS;

BORON NITRIDE; MONOLAYERS; NANOTUBES; POLARIZATION; QUANTUM CHEMISTRY; TENSORS; TUBES (COMPONENTS);

CRYSTAL SYMMETRY;

BORON DERIVATIVE; BORON NITRIDE; NANOTUBE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; VIBRATION;

BORON COMPOUNDS; NANOTUBES; QUANTUM THEORY; VIBRATION;

MLCS; MLOWN;

EID: 84873690854     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4788831     Document Type: Article

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