Magnetically Ordered Transition-Metal-Intercalated WSe 2

Kumar, Pankaj; Skomski, Ralph; Pushpa, Raghani

doi:10.1021/acsomega.7b01164

Title: Magnetically Ordered Transition-Metal-Intercalated WSe ₂

Journal Article · Tue Nov 07 00:00:00 EST 2017 · ACS Omega

DOI:https://doi.org/10.1021/acsomega.7b01164· OSTI ID:1408938

^[1]; Skomski, Ralph ^[2]; Pushpa, Raghani ^[1]

Department of Physics, Boise State University, 1910 University Dr., Boise, Idaho 83725, United States
Department of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, Nebraska 68588, United States

Introducing magnetic behavior in nonmagnetic transition metal dichalcogenides is essential to broaden their applications in spintronic and nanomagnetic devices. In this article, we investigate the electronic and magnetic properties of transition-metal-intercalated tungsten diselenide (WSe₂) using density functional theory. We find that intercalation compounds with composition of T_1/4WSe₂ (T is an ironseries transition-metal atom) exhibit substantial magnetic moments and pronounced ferromagnetic order for late transition metals. The densities of states of the T atoms and the magnetic moments on the W sites indicate that the moments of the intercalated atoms become more localized with increasing atomic number. A large perpendicular magnetocrystalline anisotropy of about 9 meV per supercell has been found for Fe_1/4WSe₂. Furthermore, using mean field theory, we estimated high Curie temperatures of 660, 475, and 379 K for Cr, Mn, and Fe, respectively. The predicted magnetic properties suggest that WSe₂ may have applications in spin electronics and nanomagnetic devices.

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Research Organization:: Boise State Univ., ID (United States)

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

Grant/Contract Number:: FG02-04ER46152

OSTI ID:: 1408938

Alternate ID(s):: OSTI ID: 1529568

Journal Information:: ACS Omega, Journal Name: ACS Omega Vol. 2 Journal Issue: 11; ISSN 2470-1343

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 19 works

Citation information provided by
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