【作者单位】1 Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education 2 Department of Physics, Taiyuan Normal University
【年份】2021
【页码】1
【ISSN】0377-0486
【关键词】anisotropic behavior anomalous Raman shifts density functional theory hexanitrohexaazaisowurtzitane uniaxial compression
【摘要】 Using dispersion corrected density functional theory, we comprehensively explore the structure and the Raman spectra of hexanitrohexaazaisowurtzitane crystal under hydrostatic and uniaxial compression. Through hydrostatic compression, we verify that...
