Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session B35: Spin in Monolayer Materials
11:15 AM–2:15 PM,
Monday, March 5, 2018
LACC
Room: 409B
Sponsoring
Unit:
DCMP
Chair: Ahmet Avsar, École Polytechnique Federale de Lausanne
Abstract ID: BAPS.2018.MAR.B35.11
Abstract: B35.00011 : Ab initio study of the magnetic and transport properties of VSe2
1:15 PM–1:27 PM
Presenter:
Victor Pardo
(Univ Santiago de Compostela)
Authors:
Adolfo Fumega
(Univ Santiago de Compostela)
Warren Pickett
(University of California Davis)
Victor Pardo
(Univ Santiago de Compostela)
and hence are susceptible to be exfoliated [1]. It presents a charge density wave (CDW)
transition at 107 K in the bulk material. The temperature of the transition increases when
the dimensionality of the system is reduced [1].
DFT calculations suggest that the system is ferromagnetic [2], but experiments show
inconclusive results [1, 3-4].
Here we explore possible ways to reconcile DFT results and experiments. By means of
electronic structure and transport properties calculations we provide a comparison of various
possible magnetic and non-magnetic configurations with experimental data on the
transport properties of the compound to shed some light on the intrinsic magnetic
properties of VSe2, which are under debate in the literature.
[1] Xu K, Chen P, Li X, Wu C, Guo Y, Zhao J, Wu X and Xie Y, Angew. Chem. Int .Ed. 52,
10477-10481 (2013).
[2] Fengyu Li, Kaixiong Tu, and Zhongfang Chen, J. Phys. Chem. C 118 (36), 21264–
21274 (2014).
[3] Sourabh Barua, M. Ciomaga Hatnean, M. R. Lees, Scientific Reports 7, 10964 (2017).
[4] Qiang Cao, Frank F Yun, Lina Sang, and Xiaolin Wang, M. R. Lees, Nanotechnology,
DOI: https://doi.org/10.1088/1361-6528/aa8f6c (2017).
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.B35.11
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