摘要
A new phase of RhB4is predicted based on first-principles calculations.The new phase belongs to the orthorhombic Pnnm space group,named as o-RhB4,and analysis of the calculated enthalpy shows that o-RhB4belongs to the orthorhombic Pnnm space group.The calculated phonon band structure shows that the orthorhombic Pnnm o-RhB4structure is stable at ambient pressure.We expect that the phase transition can be further confirmed by experiments.
作者
Bin-Hua Chu
Yuan Zhao
Jin-Liang Yan
Da Li
初斌华;赵元;闫金良;李达(School of Physics and Opto-Electronic Engineering,Ludong University,Yantai 264025;State Key Laboratory of Superhard Materials,Jilin University,Changchun 130012)
基金
Supported by the Natural Science Foundation of Shandong Province under Grant Nos ZR2016AP02,ZR2016FM38 and ZR2016EMP01
the Innovation Project of Ludong University under Grant No LB2016013
the Open Project of State Key Laboratory of Superhard Materials of Jilin University under Grant No 201605
the National Natural Science Foundation of China under Grant Nos 11704170 and 61705097
