Simulation of structured 4T 1→ 6A 1 emission bands of Mn 2+ impurity in Zn 2SiO 4: A first-principle methodology

Journal of Luminescence

Volumn 132, Issue 8, 2012, Pages 2143-2150

  Kretov, M K ^a   Iskandarova, I M ^b   Potapkin, B V ^b,c   Scherbinin, A V ^a   Srivastava, A M ^d   Stepanov, N F ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b KINTECH LAB LTD   (Russian Federation)

^c KURCHATOV INSTITUTE   (Russian Federation)

^d GE GLOBAL RESEARCH   (United States)

Author keywords

Cluster ab initio calculations; Mn 2+ emission; Periodic DFT calculations; Vibronic band simulation; Willemite; Zn 2SiO 4

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; EMISSION BANDS; FIRST-PRINCIPLE STUDY; GENERATING FUNCTIONS; GREEN EMISSION BANDS; HARMONIC OSCILLATOR MODEL; HIGH-TEMPERATURE EMISSION; LATTICE PHONONS; LINEAR-RESPONSE THEORY; LOW-TEMPERATURE EMISSION; MULTIMODES; PERIODIC DFT CALCULATION; PHONON WINGS; THEORETICAL STUDY; VIBRONIC BANDS; VIBRONIC SPECTRA; VIBRONIC STRUCTURE; WILLEMITE; ZERO-PHONON LINE;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; LATTICE THEORY; LIGHT EMISSION; MANGANESE; OSCILLATORS (MECHANICAL); PHONONS; PHOSPHORS; ZINC;

MANGANESE COMPOUNDS;

EID: 84859791331     PISSN: 00222313     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jlumin.2012.03.067     Document Type: Article

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