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HIGHLIGHTED ARTICLES

Reducing intrinsic energy dissipation in diamond-on-diamond mechanical resonators toward one million quality factor

Haihua Wu, Liwen Sang, Yumeng Li, Tokuyuki Teraji, Tiefu Li, Masataka Imura, Jianqiang You, Yasuo Koide, Masaya Toda, and Meiyong Liao

Phys. Rev. Materials 2, 090601(R) (2018) - Published 28 September, 2018

This paper reports a batch fabrication of ultrahigh quality-factor single-crystal diamond microelectromechanical system resonators on diamond by using a smart-cut method and atomic scale etching of the defects within the resonators. As a result, the intrinsic energy dissipation induced by bulk defects is markedly reduced and quality factors over one million are realized, which can lead to the fabrication of highly sensitive physical and chemical sensors with high reliability.

Field effect enhancement in buffered quantum nanowire networks

Filip Krizek, Joachim E. Sestoft, Pavel Aseev, Sara Marti-Sanchez, Saulius Vaitiekėnas, Lucas Casparis, Sabbir A. Khan, Yu Liu, Tomaš Stankevič, Alexander M. Whiticar, Alexandra Fursina, Frenk Boekhout, Rene Koops, Emanuele Uccelli, Leo P. Kouwenhoven, Charles M. Marcus, Jordi Arbiol, and Peter Krogstrup

Phys. Rev. Materials 2, 093401 (2018) - Published 7 September, 2018

Realizing scalable high-quality nanowire networks by Molecular Beam Epitaxy (MBE) opens new possibilities in quantum devices and high-speed electronics. In this work, the authors report on the synthesis of complex crystalline patterns of InAs nanowires by selective area growth using MBE. It is shown that employing GaAs(Sb) as selective area grown buffer layers gives substantial elastic strain relaxation and a strong enhancement of the field effect mobility. These findings together with the compatibility of the proposed technique with hybrid epitaxy of superconductors make this material platform an ideal large-scale architecture for quantum applications that are based on gateable superconducting nanocircuits.

Enhancement of the superconducting transition temperature by Re doping in Weyl semimetal MoTe2

Manasi Mandal, Sourav Marik, K. P. Sajilesh, Arushi, Deepak Singh, Jayita Chakraborty, Nirmal Ganguli, and R. P. Singh

Phys. Rev. Materials 2, 094201 (2018) - Published 13 September, 2018

The discovery of superconductivity in type-II Weyl semimetal MoTe2 has sparked great research interest because it can lead to various exotic quantum states. In this work, the authors show that electron doping at the Mo site in 1T-MoTe2 (room temperature structure) phase can enhance the superconducting transition temperature (Tc). They found that electron doping by means of Re substitution facilities the emergence of superconductivity by enhancing the electron-phonon coupling and density of states at the Fermi level. A record high Tc at ambient pressure is observed for Mo0.7Re0.3Te2.

Volatile two-dimensional electron gas in ultrathin BaTiO3 films

Peter Lutz, Simon Moser, Vedran Jovic, Young Jun Chang, Roland J. Koch, Søren Ulstrup, Ji Seop Oh, Luca Moreschini, Sara Fatale, Marco Grioni, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, Hendrik Bentmann, and Friedrich Reinert

Phys. Rev. Materials 2, 094411 (2018) - Published 28 September, 2018

BaTiO3 (BTO) is one of the most important ferroelectric oxides. Its most common source of uncontrolled doping, the oxygen vacancy, releases free electrons that confine in a two-dimensional electron gas (2DEG) at the surface. This 2DEG can be readily monitored by angle-resolved photoemission, and be used to measure the defect dynamics in ultrathin BTO films. The authors reveal two remarkable properties: first, oxygen defects close to the thin film surface are preferably in a charge state of 2+, which limits charge carrier trapping. Second, these defects migrate even below room temperature, fostering significant surface charge carrier density fluctuations that ultimately quench the 2DEG.

RAPID COMMUNICATIONS

Structural and mechanical properties

Reducing intrinsic energy dissipation in diamond-on-diamond mechanical resonators toward one million quality factor

Haihua Wu, Liwen Sang, Yumeng Li, Tokuyuki Teraji, Tiefu Li, Masataka Imura, Jianqiang You, Yasuo Koide, Masaya Toda, and Meiyong Liao

Phys. Rev. Materials 2, 090601(R) (2018) - Published 28 September, 2018

This paper reports a batch fabrication of ultrahigh quality-factor single-crystal diamond microelectromechanical system resonators on diamond by using a smart-cut method and atomic scale etching of the defects within the resonators. As a result, the intrinsic energy dissipation induced by bulk defects is markedly reduced and quality factors over one million are realized, which can lead to the fabrication of highly sensitive physical and chemical sensors with high reliability.

Magnetic, ferroelectric, and multiferroic materials

Type-II multiferroism and linear magnetoelectric coupling in the honeycomb Fe4Ta2O9 antiferromagnet

Antoine Maignan and Christine Martin

Phys. Rev. Materials 2, 091401(R) (2018) - Published 5 September, 2018

Electrically controlled switching of the magnetization state in multiferroic BaTiO3/CoFe submicrometer structures

R. Lo Conte, J. Gorchon, A. Mougin, C. H. A. Lambert, A. El-Ghazaly, A. Scholl, S. Salahuddin, and J. Bokor

Phys. Rev. Materials 2, 091402(R) (2018) - Published 5 September, 2018

Soft, molecular, and amorphous materials

Scratch hardness of glass

Shigeki Sawamura and Lothar Wondraczek

Phys. Rev. Materials 2, 092601(R) (2018) - Published 13 September, 2018

ARTICLES

Crystal growth, crystallization, and kinetics

Field effect enhancement in buffered quantum nanowire networks

Filip Krizek, Joachim E. Sestoft, Pavel Aseev, Sara Marti-Sanchez, Saulius Vaitiekėnas, Lucas Casparis, Sabbir A. Khan, Yu Liu, Tomaš Stankevič, Alexander M. Whiticar, Alexandra Fursina, Frenk Boekhout, Rene Koops, Emanuele Uccelli, Leo P. Kouwenhoven, Charles M. Marcus, Jordi Arbiol, and Peter Krogstrup

Phys. Rev. Materials 2, 093401 (2018) - Published 7 September, 2018

Realizing scalable high-quality nanowire networks by Molecular Beam Epitaxy (MBE) opens new possibilities in quantum devices and high-speed electronics. In this work, the authors report on the synthesis of complex crystalline patterns of InAs nanowires by selective area growth using MBE. It is shown that employing GaAs(Sb) as selective area grown buffer layers gives substantial elastic strain relaxation and a strong enhancement of the field effect mobility. These findings together with the compatibility of the proposed technique with hybrid epitaxy of superconductors make this material platform an ideal large-scale architecture for quantum applications that are based on gateable superconducting nanocircuits.

In situ observations of spiral growth on ice crystal surfaces

Ken-ichiro Murata, Ken Nagashima, and Gen Sazaki

Phys. Rev. Materials 2, 093402 (2018) - Published 10 September, 2018

Direct observation of van der Waals two-dimensional crystal and small clusters of methane on copper surfaces

Takashi Kumagai, Janina N. Ladenthin, and Ikutaro Hamada

Phys. Rev. Materials 2, 093403 (2018) - Published 17 September, 2018

Growth kinetics and morphological analysis of homoepitaxial GaAs fins by theory and experiment

Marco Albani, Lea Ghisalberti, Roberto Bergamaschini, Martin Friedl, Marco Salvalaglio, Axel Voigt, Francesco Montalenti, Gözde Tütüncüoglu, Anna Fontcuberta i Morral, and Leo Miglio

Phys. Rev. Materials 2, 093404 (2018) - Published 17 September, 2018

Correlating ultrafast calorimetry, viscosity, and structural measurements in liquid GeTe and Ge15Te85

Hans Weber, Jiri Orava, Ivan Kaban, Julian Pries, and A. Lindsay Greer

Phys. Rev. Materials 2, 093405 (2018) - Published 21 September, 2018

Structural and mechanical properties

Icosahedral (H2)13 supermolecule

Graeme J. Ackland, Jack Binns, Ross Howie, and Miguel Martinez-Canales

Phys. Rev. Materials 2, 093601 (2018) - Published 4 September, 2018

Substitution of Er, In, and Hf in LiNbO3: Evidence for multiple defect distributions about dopant sites

C. Mackeen, F. Bridges, L. Kovács, and J. Castillo-Torres

Phys. Rev. Materials 2, 093602 (2018) - Published 6 September, 2018

Free energy of grain boundary phases: Atomistic calculations for Σ5(310)[001] grain boundary in Cu

Rodrigo Freitas, Robert E. Rudd, Mark Asta, and Timofey Frolov

Phys. Rev. Materials 2, 093603 (2018) - Published 10 September, 2018

Modeling the climb-assisted glide of edge dislocations through a random distribution of nanosized vacancy clusters

Marie Landeiro Dos Reis, Laurent Proville, and Maxime Sauzay

Phys. Rev. Materials 2, 093604 (2018) - Published 10 September, 2018

Atomistic modeling of grain boundary motion as a random walk

Dengke Chen and Yashashree Kulkarni

Phys. Rev. Materials 2, 093605 (2018) - Published 12 September, 2018

{110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials

Johannes J. Möller, Matous Mrovec, Ivan Bleskov, Jörg Neugebauer, Thomas Hammerschmidt, Ralf Drautz, Christian Elsässer, Tilmann Hickel, and Erik Bitzek

Phys. Rev. Materials 2, 093606 (2018) - Published 19 September, 2018

Energetics of defect production in fluorite-structured CeO2 induced by highly ionizing radiation

A. Shelyug, R. I. Palomares, M. Lang, and A. Navrotsky

Phys. Rev. Materials 2, 093607 (2018) - Published 19 September, 2018

Resolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN

A. Fallqvist, W. Olovsson, B. Alling, J. Palisaitis, M. P. Belov, I. A. Abrikosov, L. Hultman, and P. O. Å. Persson

Phys. Rev. Materials 2, 093608 (2018) - Published 20 September, 2018

Impact of solute-solute interactions on grain boundary segregation and cohesion in molybdenum

Daniel Scheiber, Lorenz Romaner, Reinhard Pippan, and Peter Puschnig

Phys. Rev. Materials 2, 093609 (2018) - Published 24 September, 2018

DFT study of the electronic properties and the cubic to tetragonal phase transition in RbCaF3

Sohaib Ehsan, Andreas Tröster, Fabien Tran, and Peter Blaha

Phys. Rev. Materials 2, 093610 (2018) - Published 28 September, 2018

Hidden pathway during fcc to bcc/bct transformations: Crystallographic origin of slip martensite in steels

Yipeng Gao and Yunzhi Wang

Phys. Rev. Materials 2, 093611 (2018) - Published 28 September, 2018

Development of new methods for materials

Resolving interfacial charge transfer in titanate superlattices using resonant x-ray reflectometry

R. F. Need, P. B. Marshall, E. Weschke, A. J. Grutter, D. A. Gilbert, E. Arenholz, P. Shafer, S. Stemmer, and S. D. Wilson

Phys. Rev. Materials 2, 093801 (2018) - Published 6 September, 2018

Hydrogen supersaturated layers in H/D plasma-loaded tungsten: A global model based on thermodynamics, kinetics and density functional theory data

E. A. Hodille, N. Fernandez, Z. A. Piazza, M. Ajmalghan, and Y. Ferro

Phys. Rev. Materials 2, 093802 (2018) - Published 7 September, 2018

Two-dimensional materials

Two-dimensional superconductivity and topological states in PdTe2 thin films

Chong Liu, Chao-Sheng Lian, Meng-Han Liao, Yang Wang, Yong Zhong, Cui Ding, Wei Li, Can-Li Song, Ke He, Xu-Cun Ma, Wenhui Duan, Ding Zhang, Yong Xu, Lili Wang, and Qi-Kun Xue

Phys. Rev. Materials 2, 094001 (2018) - Published 4 September, 2018

Commensurate versus incommensurate heterostructures of group-III monochalcogenides

Altaf Ur Rahman, Juliana M. Morbec, Gul Rahman, and Peter Kratzer

Phys. Rev. Materials 2, 094002 (2018) - Published 4 September, 2018

Laser annealing for radiatively broadened MoSe2 grown by chemical vapor deposition

Christopher Rogers, Dodd Gray, Nate Bogdanowicz, and Hideo Mabuchi

Phys. Rev. Materials 2, 094003 (2018) - Published 17 September, 2018

Theory of thin-film-mediated exfoliation of van der Waals bonded layered materials

Haoye Sun, Eric W. Sirott, James Mastandrea, Hannah M. Gramling, Yuzhi Zhou, Max Poschmann, Hayden K. Taylor, Joel W. Ager, and D. C. Chrzan

Phys. Rev. Materials 2, 094004 (2018) - Published 20 September, 2018

Topological and Dirac materials

Enhancement of the superconducting transition temperature by Re doping in Weyl semimetal MoTe2

Manasi Mandal, Sourav Marik, K. P. Sajilesh, Arushi, Deepak Singh, Jayita Chakraborty, Nirmal Ganguli, and R. P. Singh

Phys. Rev. Materials 2, 094201 (2018) - Published 13 September, 2018

The discovery of superconductivity in type-II Weyl semimetal MoTe2 has sparked great research interest because it can lead to various exotic quantum states. In this work, the authors show that electron doping at the Mo site in 1T-MoTe2 (room temperature structure) phase can enhance the superconducting transition temperature (Tc). They found that electron doping by means of Re substitution facilities the emergence of superconductivity by enhancing the electron-phonon coupling and density of states at the Fermi level. A record high Tc at ambient pressure is observed for Mo0.7Re0.3Te2.

Magnetic, ferroelectric, and multiferroic materials

Electronic switching by metastable polarization states in BiFeO3 thin films

Ye Cao, Qian Li, Mark Huijben, Rama K. Vasudevan, Sergei V. Kalinin, and Petro Maksymovych

Phys. Rev. Materials 2, 094401 (2018) - Published 4 September, 2018

Strain-induced competition between ferromagnetism and emergent antiferromagnetism in (Eu,Sr)MnO3

A. J. Grutter, S. M. Disseler, E. J. Moon, D. A. Gilbert, E. Arenholz, A. Suter, T. Prokscha, Z. Salman, B. J. Kirby, and S. J. May

Phys. Rev. Materials 2, 094402 (2018) - Published 4 September, 2018

Uncovering anisotropic magnetic phases via fast dimensionality analysis

Manohar H. Karigerasi, Lucas K. Wagner, and Daniel P. Shoemaker

Phys. Rev. Materials 2, 094403 (2018) - Published 4 September, 2018

Spin-Hall and anisotropic magnetoresistance in ferrimagnetic Co-Gd/Pt layers

W. Zhou, T. Seki, T. Kubota, G. E. W. Bauer, and K. Takanashi

Phys. Rev. Materials 2, 094404 (2018) - Published 5 September, 2018

Magnetism and spin transport in rare-earth-rich epitaxial terbium and europium iron garnet films

Ethan R. Rosenberg, Lukáš Beran, Can O. Avci, Cyrus Zeledon, Bingqian Song, Claudio Gonzalez-Fuentes, Johannes Mendil, Pietro Gambardella, Martin Veis, Carlos Garcia, Geoffrey S. D. Beach, and Caroline A. Ross

Phys. Rev. Materials 2, 094405 (2018) - Published 14 September, 2018

Impact of Sn substitution on the structure and magnetism of Sr2IrO4

Andrew F. May, Huibo Cao, and Stuart Calder

Phys. Rev. Materials 2, 094406 (2018) - Published 17 September, 2018

Alloying effect of tungsten on the structural and magnetic properties of CoCrFeNiW high entropy alloys

Raquel Lizárraga, Erik Holmström, and Levente Vitos

Phys. Rev. Materials 2, 094407 (2018) - Published 24 September, 2018

Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles

Yuhao Fu and David J. Singh

Phys. Rev. Materials 2, 094408 (2018) - Published 26 September, 2018

Absence of a multiglass state in some transition metal doped quantum paraelectrics

Charu Garg, Jitender Kumar, and Sunil Nair

Phys. Rev. Materials 2, 094409 (2018) - Published 26 September, 2018

Volatile two-dimensional electron gas in ultrathin BaTiO3 films

Peter Lutz, Simon Moser, Vedran Jovic, Young Jun Chang, Roland J. Koch, Søren Ulstrup, Ji Seop Oh, Luca Moreschini, Sara Fatale, Marco Grioni, Chris Jozwiak, Aaron Bostwick, Eli Rotenberg, Hendrik Bentmann, and Friedrich Reinert

Phys. Rev. Materials 2, 094411 (2018) - Published 28 September, 2018

BaTiO3 (BTO) is one of the most important ferroelectric oxides. Its most common source of uncontrolled doping, the oxygen vacancy, releases free electrons that confine in a two-dimensional electron gas (2DEG) at the surface. This 2DEG can be readily monitored by angle-resolved photoemission, and be used to measure the defect dynamics in ultrathin BTO films. The authors reveal two remarkable properties: first, oxygen defects close to the thin film surface are preferably in a charge state of 2+, which limits charge carrier trapping. Second, these defects migrate even below room temperature, fostering significant surface charge carrier density fluctuations that ultimately quench the 2DEG.

Semiconducting materials

Quantitative relevance of substitutional impurities to carrier dynamics in diamond

Takaaki Shimomura, Yoshiki Kubo, Julien Barjon, Norio Tokuda, Ikuko Akimoto, and Nobuko Naka

Phys. Rev. Materials 2, 094601 (2018) - Published 4 September, 2018

Layer-resolved band bending at the nSrTiO3(001)/pGe(001) interface

Y. Du, P. V. Sushko, S. R. Spurgeon, M. E. Bowden, J. M. Ablett, T.-L. Lee, N. F. Quackenbush, J. C. Woicik, and S. A. Chambers

Phys. Rev. Materials 2, 094602 (2018) - Published 21 September, 2018

Other electronic materials

Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities

Ethan A. Scott, Khalid Hattar, Christina M. Rost, John T. Gaskins, Mehrdad Fazli, Claire Ganski, Chao Li, Tingyu Bai, Yekan Wang, Keivan Esfarjani, Mark Goorsky, and Patrick E. Hopkins

Phys. Rev. Materials 2, 095001 (2018) - Published 17 September, 2018

Materials for energy harvesting, storage, and generation

Evaluating transition metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications

Gopalakrishnan Sai Gautam and Emily A. Carter

Phys. Rev. Materials 2, 095401 (2018) - Published 13 September, 2018

First-principles study of vibrational entropy effects on the PbTe-SrTe phase diagram

Xia Hua, Shiqiang Hao, and Chris Wolverton

Phys. Rev. Materials 2, 095402 (2018) - Published 17 September, 2018

Soft, molecular, and amorphous materials

Microscopic signatures of yielding in concentrated nanoemulsions under large-amplitude oscillatory shear

Michael C. Rogers, Kui Chen, Matthew J. Pagenkopp, Thomas G. Mason, Suresh Narayanan, James L. Harden, and Robert L. Leheny

Phys. Rev. Materials 2, 095601 (2018) - Published 10 September, 2018

Phase separation of stable colloidal clusters

Thomas Petersen, Martin Z. Bazant, Roland J. M. Pellenq, and Franz-Josef Ulm

Phys. Rev. Materials 2, 095602 (2018) - Published 25 September, 2018

Multifunctionality of particulate composites via cross-property maps

S. Torquato and D. Chen

Phys. Rev. Materials 2, 095603 (2018) - Published 26 September, 2018

Materials for catalysis and electrochemistry

Electrode potential from density functional theory calculations combined with implicit solvation theory

Jun Haruyama, Tamio Ikeshoji, and Minoru Otani

Phys. Rev. Materials 2, 095801 (2018) - Published 13 September, 2018

Nanomaterials

Vaporlike phase of amorphous SiO2 is not a prerequisite for the core/shell ion tracks or ion shaping

H. Amekura, P. Kluth, P. Mota-Santiago, I. Sahlberg, V. Jantunen, A. A. Leino, H. Vazquez, K. Nordlund, F. Djurabekova, N. Okubo, and N. Ishikawa

Phys. Rev. Materials 2, 096001 (2018) - Published 4 September, 2018

Increasing the refractive index of materials via nanolamination: a-IGZO/TiO2 nanolaminates

David Caffrey, Emma Norton, Cormac Ó. Coileáin, Christopher M. Smith, Igor V. Shvets, and Karsten Fleischer

Phys. Rev. Materials 2, 096002 (2018) - Published 11 September, 2018

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