Kim, Kwang-Chon Lee, Joohwi Kim, Byung Kyu Choi, Won Young Chang, Hye Jung Won, Sung Ok Kwon, Beomjin Kim, Seong Keun Hyun, Dow-Bin Kim, Hyun Jae Koo, Hyun Cheol Choi, Jung-Hae Kim, Dong-Ik Kim, Jin-Sang Baek, Seung-Hyub 2024-01-20T03:34:13Z 2024-01-20T03:34:13Z 2021-09-05 2016-08 2041-1723 https://pubs.kist.re.kr/handle/201004/123827 Interfaces, such as grain boundaries in a solid material, are excellent regions to explore novel properties that emerge as the result of local symmetry-breaking. For instance, at the interface of a layered-chalcogenide material, the potential reconfiguration of the atoms at the boundaries can lead to a significant modification of the electronic properties because of their complex atomic bonding structure. Here, we report the experimental observation of an electron source at 60 degrees twin boundaries in Bi2Te3, a representative layered-chalcogenide material. First-principles calculations reveal that the modification of the interatomic distance at the 60 degrees twin boundary to accommodate structural misfits can alter the electronic structure of Bi2Te3. The change in the electronic structure generates occupied states within the original bandgap in a favourable condition to create carriers and enlarges the density-of-states near the conduction band minimum. The present work provides insight into the various transport behaviours of thermoelectrics and topological insulators. English NATURE PUBLISHING GROUP TOTAL-ENERGY CALCULATIONS SINGLE DIRAC CONE TOPOLOGICAL INSULATORS FILMS PERFORMANCE GROWTH STATES Free-electron creation at the 60 degrees twin boundary in Bi2Te3 Article 10.1038/ncomms12449 1 NATURE COMMUNICATIONS, v.7 NATURE COMMUNICATIONS 7 scie scopus 000381690600001 2-s2.0-84982112299 Multidisciplinary Sciences Science & Technology - Other Topics Article TOTAL-ENERGY CALCULATIONS SINGLE DIRAC CONE TOPOLOGICAL INSULATORS FILMS PERFORMANCE GROWTH STATES Thermoelectric materials First-principle calculations Epitaxial growth Bi2Te3 2D-materials