First-principles studies of spin-phonon coupling in monolayer Cr2Ge2Te6

Zhang, B. H.; Hou, Y. S.; Wang, Z.; Wu, R. Q.

doi:10.1103/physrevb.100.224427

Title: First-principles studies of spin-phonon coupling in monolayer Cr₂Ge₂Te₆

Journal Article · 30 December 2019 · Physical Review B

DOI: https://doi.org/10.1103/physrevb.100.224427 · OSTI ID:1800327

Zhang, B. H. ^[1]; Hou, Y. S. ^[2]; Wang, Z. ^[3];

^[2]

Fudan Univ., Shanghai (China); OSTI
Univ. of California, Irvine, CA (United States)
Fudan Univ., Shanghai (China)

Here, we perform systematic first-principles calculations to investigate the spin-phonon coupling (SPC) of Cr₂Ge₂Te₆ (CGT) monolayer (ML). It is found that the $$E_g$$ phonon mode at 211.8 cm^–1 may have a SPC as large as 3.19 cm^–1, as it alters the direct exchange interaction across Cr-Cr pairs. The strength of SPC of the CGT ML can be decreased by an in-plane lattice stretch. These results provide useful insights for the understanding of SPC in two-dimensional magnetic semiconductors and may guide the design of spintronic and spin Seebeck materials and devices.

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Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-05ER46237

OSTI ID:: 1800327

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 22 Vol. 100; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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