RT Journal Article
T1 Physically founded phonon dispersions of few-layer materials and the case of borophene
A1 Carrete, Jesús
A1 Wu, Li
A1 Lindsay, Lucas
A1 Broido, David A.
A1 Gallego del Hoyo, Luis Javier
A1 Mingo, Natalio
K1 2D
K1 Thermal Transport
K1 Borophene
K1 Nanomaterials
K1 Phonons
AB By building physically sound interatomic force constants, we offer evidence of the universal presence of a quadratic phonon branch in all unstrained 2D materials, thus contradicting much of the existing literature. Through a reformulation of the interatomic force constants (IFCs) in terms of internal coordinates, we find that a delicate balance between the IFCs is responsible for this quadraticity. We use this approach to predict the thermal conductivity of Pmmn borophene, which is comparable to that of , and displays a remarkable in-plane anisotropy. These qualities may enable the efficient heat management of borophene devices in potential nanoelectronic applications.
PB Taylor & Francis
SN 2166-3831
YR 2016
FD 2016
LK http://hdl.handle.net/10347/22790
UL http://hdl.handle.net/10347/22790
LA eng
NO Jesús Carrete, Wu Li, Lucas Lindsay, David A. Broido, Luis J. Gallego & Natalio Mingo (2016) Physically founded phonon dispersions of few-layer materials and the case of borophene, Materials Research Letters, 4:4, 204-211, DOI: 10.1080/21663831.2016.1174163
NO This work has been partly supported by the Air Force Office of Sponsored Research [grant number FA9550-15-1-0187], the European Union’s Horizon 2020 Research and Innovation Programme [grant number 645776 (ALMA)], ANR Carnot SIEVE, and the M-Era program through project ICETS. L.J.G. acknowledges the support provided by the Spanish Ministry of Economy and Competitiveness [Project FIS2012-33126] and by the Xunta de Galicia [AGRUP2015/11], in conjunction with the European Regional Development Fund (FEDER). L.L. acknowledges support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division for work done at ORNL. D.A.B. acknowledges support fromthe NSF EFRI 2-DARE program [grant number 1402949] and from ONR [grant number N00014-13-1-0234]
DS Minerva
RD 28 abr 2026