文献类型：期刊文献

英文题名：Transition between strong and weak topological insulator in ZrTe 5 and HfTe 5

作者：Fan Z.; Liang Q.-F.; Chen Y.B.; Yao S.-H.; Zhou J.

机构：[1]National Laboratory of Solid State Microstructures, Department of Materials Science and Engineering, Nanjing University, Nanjing, 210093, China;[2]Department of Physics, Shaoxing University, Shaoxing, 312000, China;[3]National Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing, 210093, China;[4]Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing, 210093, China

年份：2017

卷号：7

外文期刊名：Scientific Reports

收录：Scopus(收录号：2-s2.0-85016972199)

语种：英文

外文摘要：ZrTe 5 and HfTe 5 have attracted increasingly attention recently since the theoretical prediction of being topological insulators (TIs). However, subsequent works show many contradictions about their topolog-ical nature. Three possible phases, i.e. strong TI, weak TI, and Dirac semi-metal, have been observed in different experiments until now. Essentially whether ZrTe 5 or HfTe 5 has a band gap or not is still a question. Here, we present detailed first-principles calculations on the electronic and topological prop-erties of ZrTe 5 and HfTe 5 on variant volumes and clearly demonstrate the topological phase transition from a strong TI, going through an intermediate Dirac semi-metal state, then to a weak TI when the crystal expands. Our work might give a unified explain about the divergent experimental results and propose the crucial clue to further experiments to elucidate the topological nature of these materials. ? The Author(s) 2017.