中国物理B ›› 2022, Vol. 31 ›› Issue (10): 103302-103302.doi: 10.1088/1674-1056/ac7cd3

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Terahertz spectroscopy and lattice vibrational analysis of pararealgar and orpiment

Ya-Wei Zhang(张亚伟)1,2, Guan-Hua Ren(任冠华)3,†, Xiao-Qiang Su(苏晓强)4,‡, Tian-Hua Meng(孟田华)4, and Guo-Zhong Zhao(赵国忠)5   

  1. 1. Institute of History for the Science and Technology, Inner Mongolia Normal University, Hohhot 010022, China;
    2. School of Yungang Ology, Shanxi Datong University, Datong 037009, China;
    3. Department of Mathematics and Physics, North China Electric Power University, Baoding 071003, China;
    4. Institute of Solid State Physics, Shanxi Provincial Key Laboratory of Microstructure Electromagnetic Functional Materials, Shanxi Datong University, Datong 037009, China;
    5. Department of Physics, Capital Normal University, Beijing 100048, China
  • 收稿日期:2022-05-04 修回日期:2022-06-27 出版日期:2022-10-16 发布日期:2022-09-24
  • 通讯作者: Guan-Hua Ren, Xiao-Qiang Su E-mail:rengh@ncepu.edu.cn;xiaoqiang.su@sxdtdx.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 61805129 and 11874245), the National Key Research and Development Program of China (Grant No. 2021YFB3200100), and the Yungang Special Fund of Shanxi Datong University, China (Grant No. 2020YGZX005).

Terahertz spectroscopy and lattice vibrational analysis of pararealgar and orpiment

Ya-Wei Zhang(张亚伟)1,2, Guan-Hua Ren(任冠华)3,†, Xiao-Qiang Su(苏晓强)4,‡, Tian-Hua Meng(孟田华)4, and Guo-Zhong Zhao(赵国忠)5   

  1. 1. Institute of History for the Science and Technology, Inner Mongolia Normal University, Hohhot 010022, China;
    2. School of Yungang Ology, Shanxi Datong University, Datong 037009, China;
    3. Department of Mathematics and Physics, North China Electric Power University, Baoding 071003, China;
    4. Institute of Solid State Physics, Shanxi Provincial Key Laboratory of Microstructure Electromagnetic Functional Materials, Shanxi Datong University, Datong 037009, China;
    5. Department of Physics, Capital Normal University, Beijing 100048, China
  • Received:2022-05-04 Revised:2022-06-27 Online:2022-10-16 Published:2022-09-24
  • Contact: Guan-Hua Ren, Xiao-Qiang Su E-mail:rengh@ncepu.edu.cn;xiaoqiang.su@sxdtdx.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 61805129 and 11874245), the National Key Research and Development Program of China (Grant No. 2021YFB3200100), and the Yungang Special Fund of Shanxi Datong University, China (Grant No. 2020YGZX005).

摘要: Terahertz time-domain spectroscopy (THz-TDS) is an effective nondestructive and noninvasive tool for investigating sulfur-containing pigments. Combined with Raman spectroscopy and vibrational mode analysis, it is significant for artifact identification and conservation. In this work, the terahertz absorption spectra of pararealgar (As4S4) and orpiment (As2S3) samples mixed with polytetrafluoroethylene (PTFE) are characterized in a range from 0.2 THz to 2.2 THz, and their distinctive peaks are observed, respectively. Meanwhile, qualitative analysis is also implemented by using Raman spectroscopy as a complementary technique. The lattice vibrations are simulated by using solid-state density functional theory (ss-DFT), illustrating different characteristic absorption peaks for specific crystalline structures and dynamic properties. This work provides a reliable database of sulfur-containing pigments for using the THz technology to actually analyze and diagnose cultural relics.

关键词: THz-TDS, lattice vibrations, solid-state density functional theory (ss-DFT), pararealgar, orpiment

Abstract: Terahertz time-domain spectroscopy (THz-TDS) is an effective nondestructive and noninvasive tool for investigating sulfur-containing pigments. Combined with Raman spectroscopy and vibrational mode analysis, it is significant for artifact identification and conservation. In this work, the terahertz absorption spectra of pararealgar (As4S4) and orpiment (As2S3) samples mixed with polytetrafluoroethylene (PTFE) are characterized in a range from 0.2 THz to 2.2 THz, and their distinctive peaks are observed, respectively. Meanwhile, qualitative analysis is also implemented by using Raman spectroscopy as a complementary technique. The lattice vibrations are simulated by using solid-state density functional theory (ss-DFT), illustrating different characteristic absorption peaks for specific crystalline structures and dynamic properties. This work provides a reliable database of sulfur-containing pigments for using the THz technology to actually analyze and diagnose cultural relics.

Key words: THz-TDS, lattice vibrations, solid-state density functional theory (ss-DFT), pararealgar, orpiment

中图分类号:  (Molecular spectra)

  • 33.20.-t
33.20.Tp (Vibrational analysis) 78.30.-j (Infrared and Raman spectra)