Affiliation:
1. Center for High Pressure Science (CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University 1 , Qinhuangdao 066004, China
2. Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University 2 , Qinhuangdao 066004, China
Abstract
The recently discovered graphite–diamond hybrid materials (Gradia) with mixed sp2- and sp3-hybridizations have opened up a new direction in carbon allotropes research. Herein, we reported Gradia-HZ, constituted by interfaced graphite and hexagonal diamond parts in the unit cell, which demonstrates distinct electronic and mechanical properties. With the modulation of graphite width, Gradia-HZ exhibits unexpected topological nodal-line semimetal, semiconductor, and normal metal integrating with a distinctive Quasi-1D electronic transport capability based on first-principles calculations. More interestingly, pressure-induced graphite phase transformation might be an implementable and effective method to regulate the structure and physical properties of Gradia-HZ. The discovery of rich and peculiar physical properties in Gradia-HZ, e.g., high-conductivity metals, semiconductors with variable bandgap, and topological semimetals, will arouse great research interest to graphite–diamond hybrid materials, to promote their development and application in advanced devices.
Funder
National Natural Science Foundation of China
Subject
General Physics and Astronomy