Suppression of intrinsic roughness in encapsulated graphene
Joachim Dahl Thomsen, Tue Gunst, Søren Schou Gregersen, Lene Gammelgaard, Bjarke Sørensen Jessen, David M. A. Mackenzie, Kenji Watanabe, Takashi Taniguchi, Peter Bøggild, and Timothy J. Booth
Phys. Rev. B 96, 014101 (2017) - Published 5 July, 2017
Carrier mobility in graphene can be degraded by roughness. Here, the authors have measured the roughness of a suspended graphene layer encapsulated with hexagonal boron nitride (hBN) by diffraction in the transmission electron microscope. The 12-pm roughness measured is close to that found for carbon atoms within graphite. The simulations here show that encapsulation localizes flexural phonons in the hBN layers, leading to a suppression of roughness in the graphene. These results could lead to new strategies for device fabrication in applications requiring ultimately high performance, and show that layer roughness in artificially fabricated van der Waals heterostructures approaches that in naturally occurring bulk crystals.
Electrocaloric effect in at all three ferroelectric transitions: Anisotropy and inverse caloric effects
Madhura Marathe, Damian Renggli, Mehmet Sanlialp, Maksim O. Karabasov, Vladimir V. Shvartsman, Doru C. Lupascu, Anna Grünebohm, and Claude Ederer
Phys. Rev. B 96, 014102 (2017) - Published 5 July, 2017
Relaxor-ferroelectric crossover in : Origin of the spontaneous phase transition and the effect of an applied external field
Manabu Hagiwara, Yoshitaka Ehara, Nikola Novak, Neamul H. Khansur, Azatuhi Ayrikyan, Kyle G. Webber, and Shinobu Fujihara
Phys. Rev. B 96, 014103 (2017) - Published 6 July, 2017
Nonequilibrium polarization dynamics in antiferroelectrics
M. M. Vopson and X. Tan
Phys. Rev. B 96, 014104 (2017) - Published 7 July, 2017
Ideal strength and ductility in metals from second- and third-order elastic constants
Maarten de Jong, Ian Winter, D. C. Chrzan, and Mark Asta
Phys. Rev. B 96, 014105 (2017) - Published 10 July, 2017
is a fundamental property describing the upper bound on a material’s strength in the absence of crystal defects. Similarly, the nature of the failure at the ideal strength can be related to the of metals and alloys. In this work, analytical expressions are derived for the ideal strength and intrinsic ductility with knowledge of only the second-order and third-order elastic constants. This analytical approach greatly improves the fundamental understanding of mechanical behavior in advanced materials.
Thermal stiffening of clamped elastic ribbons
Duanduan Wan, David R. Nelson, and Mark J. Bowick
Phys. Rev. B 96, 014106 (2017) - Published 11 July, 2017
Robustness of the cluster expansion: Assessing the roles of relaxation and numerical error
Andrew H. Nguyen, Conrad W. Rosenbrock, C. Shane Reese, and Gus L. W. Hart
Phys. Rev. B 96, 014107 (2017) - Published 12 July, 2017
Energy confinement and thermal boundary conductance effects on short-pulsed thermal ablation thresholds in thin films
John A. Tomko, Ashutosh Giri, Brian F. Donovan, Daniel M. Bubb, Sean M. O'Malley, and Patrick E. Hopkins
Phys. Rev. B 96, 014108 (2017) - Published 12 July, 2017
Bragg projection ptychography on niobium phase domains
Nicolas Burdet, Xiaowen Shi, Jesse N. Clark, Xiaojing Huang, Ross Harder, and Ian Robinson
Phys. Rev. B 96, 014109 (2017) - Published 14 July, 2017
Properties of helium bubbles in covalent systems at the nanoscale: A combined numerical and experimental study
J. Dérès, M.-L. David, K. Alix, C. Hébert, D. T. L. Alexander, and L. Pizzagalli
Phys. Rev. B 96, 014110 (2017) - Published 17 July, 2017
Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation
Raffaello Bianco, Ion Errea, Lorenzo Paulatto, Matteo Calandra, and Francesco Mauri
Phys. Rev. B 96, 014111 (2017) - Published 18 July, 2017
Efficient and accurate machine-learning interpolation of atomic energies in compositions with many species
Nongnuch Artrith, Alexander Urban, and Gerbrand Ceder
Phys. Rev. B 96, 014112 (2017) - Published 21 July, 2017
Structural perspective on the anomalous weak-field piezoelectric response at the polymorphic phase boundaries of lead-free piezoelectrics (, Sn, Hf)
Mulualem Abebe, Kumar Brajesh, Anupam Mishra, Anatoliy Senyshyn, and Rajeev Ranjan
Phys. Rev. B 96, 014113 (2017) - Published 21 July, 2017
Electrocaloric effects in the lead-free relaxor ferroelectric from atomistic simulations
Zhijun Jiang, Sergei Prokhorenko, Sergey Prosandeev, Y. Nahas, D. Wang, Jorge Íñiguez, E. Defay, and L. Bellaiche
Phys. Rev. B 96, 014114 (2017) - Published 24 July, 2017
Energy jump during bond breaking
Naoki Miyazawa, Masataka Hakamada, and Mamoru Mabuchi
Phys. Rev. B 96, 014115 (2017) - Published 24 July, 2017
Distribution function of random strains in an elastically anisotropic continuum and defect strengths of impurity ions in crystals with zircon structure
B. Z. Malkin, N. M. Abishev, E. I. Baibekov, D. S. Pytalev, K. N. Boldyrev, M. N. Popova, and M. Bettinelli
Phys. Rev. B 96, 014116 (2017) - Published 24 July, 2017
Accurate and precise ab initio anharmonic free-energy calculations for metallic crystals: Application to hcp Fe at high temperature and pressure
Sabry G. Moustafa, Andrew J. Schultz, Eva Zurek, and David A. Kofke
Phys. Rev. B 96, 014117 (2017) - Published 26 July, 2017
Electric field dependent local structure of
A. J. Goetzee-Barral, T.-M. Usher, T. J. Stevenson, J. L. Jones, I. Levin, A. P. Brown, and A. J. Bell
Phys. Rev. B 96, 014118 (2017) - Published 31 July, 2017





