Spectroscopic properties and radiative lifetimes of SiTe：A high-level multireference configuration interaction investigation

doi:10.1088/1674-1056/23/5/053101

Abstract The 18 Λ-S states correlated to the lowest dissociation limit of SiTe were calculated by using a high-level multireference configuration interaction (MRCI) method, including scalar relativistic and spin-orbit coupling effects. Based on the calculated potential energy curves, the spectroscopic constants of bound states were determined, which are well consistent with previous experimental results. The spin-orbit matrix elements between the Λ-S states were computed, which lead to an in-depth understanding of perturbations on the electronic state a³Π. Finally, the transition dipole moments of allowed transitions A¹Π-X¹Σ⁺, E¹Σ⁺-X¹Σ⁺, a³Π-d³Δ, a³Π-a'³Σ⁺, a³Π-e³Σ^-, and the radiative lifetimes of A¹Π, E¹Σ⁺, and a³Π were evaluated.

Keywords: silicon monotelluride (SiTe) spectroscopic constants transition dipole moment radiative lifetime

Received: 17 December 2013
Revised: 15 January 2014
Accepted manuscript online:

PACS:	31.50.Df	(Potential energy surfaces for excited electronic states)
	31.15.aj	(Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)
	31.15.ag	(Excitation energies and lifetimes; oscillator strengths)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11034003, 11074095, and 11274140), the Natural Science Foundation of Heilongjiang Province, China (Grant No. F201335), and the Scientific and Technological Research Foundation of Qiqihar, China (Grant No. GYGG-201209-1).

Corresponding Authors: Li Rui, Jin Ming-Xing
E-mail: lirei01@163.com;mxjin@jlu.edu.cn

About author: 31.50.Df; 31.15.aj; 31.15.ag

Cite this article:

Li Rui (李瑞), Zhang Xiao-Mei (张晓美), Jin Ming-Xing (金明星), Xu Hai-Feng (徐海峰), Yan Bing (闫冰) Spectroscopic properties and radiative lifetimes of SiTe：A high-level multireference configuration interaction investigation 2014 Chin. Phys. B 23 053101

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