Terahertz spectroscopy and lattice vibrational analysis of pararealgar and orpiment  

作　　者：Ya-Wei Zhang Guan-Hua Ren Xiao-Qiang Su Tian-Hua Meng Guo-Zhong Zhao 张亚伟;任冠华;苏晓强;孟田华;赵国忠(Institute of History for the Science and Technology,Inner Mongolia Normal University,Hohhot 010022,China;School of Yungang Ology,Shanxi Datong University,Datong 037009,China;Department of Mathematics and Physics,North China Electric Power University,Baoding 071003,China;Institute of Solid State Physics,Shanxi Provincial Key Laboratory of Microstructure Electromagnetic Functional Materials,Shanxi Datong University,Datong 037009,China;Department of Physics,Capital Normal University,Beijing 100048,China)

机构地区：[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

出　　处：《Chinese Physics B》2022年第10期384-388,共5页中国物理B（英文版）

基　　金：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);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(As_(4)S_(4))and orpiment(As_(2)S_(3))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 

分 类 号：TQ620.72[化学工程—精细化工] O657.3[理学—分析化学] O441.4[理学—化学]