Quantum anomalous Hall insulator phase in asymmetrically functionalized germanene

Hsu, Chia-Hsiu; Fang, Yimei; Wu, Shunqing; Huang, Zhi-Quan; Crisostomo, Christian P.; Gu, Yu-Ming; Zhu, Zi-Zhong; Lin, Hsin; Bansil, Arun; Chuang, Feng-Chuan; Huang, Li

doi:10.1103/physrevb.96.165426

Quantum anomalous Hall insulator phase in asymmetrically functionalized germanene

Journal Article · Mon Oct 16 00:00:00 EDT 2017 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.96.165426· OSTI ID:1470301

Hsu, Chia-Hsiu ^[1]; Fang, Yimei ^[2]; Wu, Shunqing ^[2]; Huang, Zhi-Quan ^[3]; Crisostomo, Christian P. ^[3]; Gu, Yu-Ming ^[3]; Zhu, Zi-Zhong ^[4]; Lin, Hsin ^[5]; Bansil, Arun ^[6]; Chuang, Feng-Chuan ^[3]; Huang, Li ^[7]

Southern University of Science and Technology, Shenzhen, Guangdong (China); National Sun Yat-Sen University, Kaohsiung (Taiwan)
Xiamen University (China)
National Sun Yat-Sen University, Kaohsiung (Taiwan)
Xiamen University (China); Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen (China)
National University of Singapore (Singapore)
Northeastern Univ., Boston, MA (United States)
Southern University of Science and Technology, Shenzhen, Guangdong (China)

Here, using first-principles computations, we discuss topological properties of germanene in buckled as well as planar honeycombs with asymmetric passivation via hydrogen and nitrogen (GeHN) atoms. GeHN in the planar structure is found to harbor a quantum anomalous Hall (QAH) insulator phase. Our analysis indicates that the buckled GeHN also possesses a QAH phase under tensile strain. We computed the associated Chern numbers and edge states to confirm the presence of the QAH state. In particular, chiral edge bands connecting conduction and valence bands were found at the edges of a planar zigzag GeHN nanoribbon. By considering a range of buckling distances, we demonstrate how the system undergoes the transition from the trivial to the QAH phase between the buckled and planar structures. Finally, we show CdTe(111) to be a suitable substrate for supporting buckled germanene in the QAH phase. Our results suggest that functionalized germanene could provide a robust QAH-based platform for spintronics applications.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); National Research Foundation Singapore (NRF); Taiwan Ministry of Science and Technology (MOST); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; FG02-07ER46352; SC0012575

OSTI ID:: 1470301

Alternate ID(s):: OSTI ID: 1399626

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 16 Vol. 96; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Quantum anomalous Hall insulator phase in asymmetrically functionalized germanene

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