Z. Zhao, N. Barrett, Q. Wu, D. Martinotti, L. Tortech, R. Haumont, M. Pellen, and E. K. H. Salje
Phys. Rev. Materials 3, 043601 (2019) - Published 1 April, 2019
The authors derive surface polarity at and near ferroelastic domain boundaries from molecular dynamics simulations based on a mechanical ball-and-spring model with ionic charges. Force gradients lead to flexoelectricity generating polarity at the surface and inside twin boundaries. Using this model, they simulate electron scattering in low energy electron microscopy based on Coulomb interactions. Point charges at the surface, physical topography and polarity all determine the intensity contrast in the electron images. The results provide a framework for understanding the contrast observed at the surface and at the polar twin boundaries of nonpolar, ferroelastic CaTiO3 illustrated in the 75 μm image.
Pui-Wai Ma and S. L. Dudarev
Phys. Rev. Materials 3, 043606 (2019) - Published 24 April, 2019
Since the nineteen-seventies, it was believed that the results of Huang x-ray diffuse scattering from radiation defects proved that a self-interstitial atom (SIA) defect in Mo adopted a dumbbell configuration. However, resistivity recovery experiments performed using the same irradiated materials suggested a different, highly mobile, SIA defect structure. Using density functional theory calculations, the authors have discovered that an SIA adopts a symmetry-broken configuration in chromium, molybdenum and tungsten, where is an irrational number. A defect migrates on average one-dimensionally through a sequence of three-dimensional nonplanar transitions, well correlated with the observed defect migration temperatures. Direct simulations of Huang diffuse scattering patterns from defect structures agree with observations, fully resolving the problem of the structure of defects in Mo and similar metals.
Michele Riva, Giada Franceschi, Qiyang Lu, Michael Schmid, Bilge Yildiz, and Ulrike Diebold
Phys. Rev. Materials 3, 043802 (2019) - Published 25 April, 2019
Minute changes in the composition of complex metal-oxide films strongly affect their physical properties, and, in turn, their functionality in novel thin-film devices. The authors combine atomically resolved scanning tunneling microscopy with pulsed laser deposition, and devise a novel method that measures the composition of the deposited material with a precision that is far beyond current analysis techniques: By quantitatively evaluating the surface structures of SrTiO(110), and exploiting their exquisite sensitivity to surface stoichiometry changes, they can determine the composition of the material with a sensitivity of 0.1%, at least ten times better than other customary techniques.
Araceli Aznar, Adrià Gràcia-Condal, Antoni Planes, Pol Lloveras, Maria Barrio, Josep-Lluís Tamarit, Wenxin Xiong, Daoyong Cong, Catalin Popescu, and Lluís Mañosa
Phys. Rev. Materials 3, 044406 (2019) - Published 16 April, 2019
The large change of unit cell volume at the martensitic transition of all--metal Heusler shape memory alloys suggests that these compounds are prone to exhibit a large barocaloric response. In this paper, the composition of a Ni-Mn-Ti alloy has been tailored so that it undergoes a martenistic transition between two structural phases which do not ferromagnetically order, thereby leading to a large transition entropy change. The combination of large entropy and volume changes confers to this alloy an outstanding barocaloric effect close to room temperature. The barocaloric performances found for the studied compound outperform those reported for other shape memory Heusler alloys, and are among the largest values reported for the best state-of-the-art intermetallic compounds. The reported results place all--metal Heusler shape memory alloys at the forefront of caloric materials to be used in clean solid-state refrigeration technologies.
Hidetomo Usui, Masayuki Ochi, Sota Kitamura, Takashi Oka, Daisuke Ogura, Helge Rosner, Maurits W. Haverkort, Veronika Sunko, Philip D. C. King, Andrew P. Mackenzie, and Kazuhiko Kuroki
Phys. Rev. Materials 3, 045002 (2019) - Published 12 April, 2019
Oxides are usually considered as insulators or bad metals. This study shows that oxides can in some cases be surprisingly good metals owing to a combination of two factors. One is that the group velocity of the bands can be very large due to an unexpected contribution coming from a small mixture of the -orbital component. Another point is that “kagome lattices,” which are topologically nontrivial but rarely seen explicitly in actual materials, can be hidden in multiorbital systems on triangular lattices (which are often seen in actual materials). This results in an orbital-momentum locking, which leads to a strong suppression of the electron scattering.
Bruno Frka-Petesic, Gen Kamita, Giulia Guidetti, and Silvia Vignolini
Phys. Rev. Materials 3, 045601 (2019) - Published 17 April, 2019
The vertical compression experienced upon casting a suspension of cellulose nanocrystals leads to many structural features impacting their structural color. Upon solvent evaporation, the suspension first undergoes a phase transition into a colloidal cholesteric liquid crystal and then turns into a locked structure as the sample becomes kinetically arrested. Combining model and experiments, we show that further solvent evaporation leads to complex reorientation of the domains, angular pitch variation and helicoidal distortions. These effects explain the complex optical response, including the redshift in off-specular reflection, the higher order reflection bands and the reduction of the left-handed polarization of reflected light.
Dario Rocca, Anant Dixit, Michael Badawi, Sébastien Lebègue, Tim Gould, and Tomáš Bučko
Phys. Rev. Materials 3, 040801(R) (2019) - Published 25 April, 2019
Kaya Wei, Kuan-Wen Chen, Jennifer N. Neu, You Lai, Greta L. Chappell, George S. Nolas, David E. Graf, Yan Xin, Luis Balicas, Ryan E. Baumbach, and Theo Siegrist
Phys. Rev. Materials 3, 041201(R) (2019) - Published 3 April, 2019
Iñigo Robredo, Maia G. Vergniory, and Barry Bradlyn
Phys. Rev. Materials 3, 041202(R) (2019) - Published 3 April, 2019
Sabit Karayev, Peyton D. Murray, Durga Khadka, T. R. Thapaliya, Kai Liu, and S. X. Huang
Phys. Rev. Materials 3, 041401(R) (2019) - Published 8 April, 2019
Alexander Hawken, Gang Sun, and Peter Harrowell
Phys. Rev. Materials 3, 043401 (2019) - Published 16 April, 2019
Z. Zhao, N. Barrett, Q. Wu, D. Martinotti, L. Tortech, R. Haumont, M. Pellen, and E. K. H. Salje
Phys. Rev. Materials 3, 043601 (2019) - Published 1 April, 2019
The authors derive surface polarity at and near ferroelastic domain boundaries from molecular dynamics simulations based on a mechanical ball-and-spring model with ionic charges. Force gradients lead to flexoelectricity generating polarity at the surface and inside twin boundaries. Using this model, they simulate electron scattering in low energy electron microscopy based on Coulomb interactions. Point charges at the surface, physical topography and polarity all determine the intensity contrast in the electron images. The results provide a framework for understanding the contrast observed at the surface and at the polar twin boundaries of nonpolar, ferroelastic CaTiO3 illustrated in the 75 μm image.
Cong Dai, Fei Long, Peyman Saidi, Laurent Karim Béland, Zhongwen Yao, and Mark R. Daymond
Phys. Rev. Materials 3, 043602 (2019) - Published 9 April, 2019
Noam Zreihan, Eilon Faran, Eduard Vives, Antoni Planes, and Doron Shilo
Phys. Rev. Materials 3, 043603 (2019) - Published 11 April, 2019
Masakazu Tane, Hiroki Nishiyama, Akihiro Umeda, Norihiko L. Okamoto, Koji Inoue, Martin Luckabauer, Yasuyoshi Nagai, Tohru Sekino, Takayoshi Nakano, and Tetsu Ichitsubo
Phys. Rev. Materials 3, 043604 (2019) - Published 16 April, 2019
F. Bianchini, A. Glielmo, J. R. Kermode, and A. De Vita
Phys. Rev. Materials 3, 043605 (2019) - Published 16 April, 2019
Pui-Wai Ma and S. L. Dudarev
Phys. Rev. Materials 3, 043606 (2019) - Published 24 April, 2019
Since the nineteen-seventies, it was believed that the results of Huang x-ray diffuse scattering from radiation defects proved that a self-interstitial atom (SIA) defect in Mo adopted a dumbbell configuration. However, resistivity recovery experiments performed using the same irradiated materials suggested a different, highly mobile, SIA defect structure. Using density functional theory calculations, the authors have discovered that an SIA adopts a symmetry-broken configuration in chromium, molybdenum and tungsten, where is an irrational number. A defect migrates on average one-dimensionally through a sequence of three-dimensional nonplanar transitions, well correlated with the observed defect migration temperatures. Direct simulations of Huang diffuse scattering patterns from defect structures agree with observations, fully resolving the problem of the structure of defects in Mo and similar metals.
Dongyao Li, André Schleife, David G. Cahill, Gavin Mitchson, and David C. Johnson
Phys. Rev. Materials 3, 043607 (2019) - Published 26 April, 2019
R. Mittal, M. K. Gupta, Baltej Singh, L. Pintschovius, Yu D. Zavartsev, and S. L. Chaplot
Phys. Rev. Materials 3, 043608 (2019) - Published 26 April, 2019
Krishnendu Ghosh, He Ma, Vikram Gavini, and Giulia Galli
Phys. Rev. Materials 3, 043801 (2019) - Published 4 April, 2019
Michele Riva, Giada Franceschi, Qiyang Lu, Michael Schmid, Bilge Yildiz, and Ulrike Diebold
Phys. Rev. Materials 3, 043802 (2019) - Published 25 April, 2019
Minute changes in the composition of complex metal-oxide films strongly affect their physical properties, and, in turn, their functionality in novel thin-film devices. The authors combine atomically resolved scanning tunneling microscopy with pulsed laser deposition, and devise a novel method that measures the composition of the deposited material with a precision that is far beyond current analysis techniques: By quantitatively evaluating the surface structures of SrTiO(110), and exploiting their exquisite sensitivity to surface stoichiometry changes, they can determine the composition of the material with a sensitivity of 0.1%, at least ten times better than other customary techniques.
Marcus C. Newton, Xiaowen Shi, Ulrich Wagner, and Christoph Rau
Phys. Rev. Materials 3, 043803 (2019) - Published 30 April, 2019
C. H. Patterson
Phys. Rev. Materials 3, 043804 (2019) - Published 30 April, 2019
A. S. Botana and M. R. Norman
Phys. Rev. Materials 3, 044001 (2019) - Published 8 April, 2019
Carlos M. O. Bastos, Rafael Besse, Juarez L. F. Da Silva, and Guilherme M. Sipahi
Phys. Rev. Materials 3, 044002 (2019) - Published 10 April, 2019
Raluca-Maria Stan, Sanjoy K. Mahatha, Marco Bianchi, Charlotte E. Sanders, Davide Curcio, Philip Hofmann, and Jill A. Miwa
Phys. Rev. Materials 3, 044003 (2019) - Published 23 April, 2019
M. Cameau, R. Yukawa, C.-H. Chen, A. Huang, S. Ito, R. Ishibiki, K. Horiba, Y. Obata, T. Kondo, H. Kumigashira, H.-T. Jeng, M. D'angelo, and I. Matsuda
Phys. Rev. Materials 3, 044004 (2019) - Published 24 April, 2019
M. Besser, R. D. dos Reis, F.-R. Fan, M. O. Ajeesh, Y. Sun, M. Schmidt, C. Felser, and M. Nicklas
Phys. Rev. Materials 3, 044201 (2019) - Published 10 April, 2019
Yan Gao, Weikang Wu, Peng-Jie Guo, Chengyong Zhong, Shengyuan A. Yang, Kai Liu, and Zhong-Yi Lu
Phys. Rev. Materials 3, 044202 (2019) - Published 18 April, 2019
S. F. Elatresh, Zhimou Zhou, N. W. Ashcroft, S. A. Bonev, Ji Feng, and Roald Hoffmann
Phys. Rev. Materials 3, 044203 (2019) - Published 23 April, 2019
Chandan De, Rabindranath Bag, Surjeet Singh, Fabio Orlandi, Pascal Manuel, Sean Langridge, Milan K. Sanyal, C. N. R. Rao, Maxim Mostovoy, and A. Sundaresan
Phys. Rev. Materials 3, 044401 (2019) - Published 2 April, 2019
Masahiro Sakurai and James R. Chelikowsky
Phys. Rev. Materials 3, 044402 (2019) - Published 8 April, 2019
Peng Zhou, M. A. Popov, Ying Liu, Rao Bidthanapally, D. A. Filippov, Tianjin Zhang, Yajun Qi, P. J. Shah, B. M. Howe, M. E. McConney, Yongming Luo, G. Sreenivasulu, G. Srinivasan, and M. R. Page
Phys. Rev. Materials 3, 044403 (2019) - Published 9 April, 2019
Pol Torres, Juan Antonio Seijas-Bellido, Carlos Escorihuela-Sayalero, Jorge Íñiguez, and Riccardo Rurali
Phys. Rev. Materials 3, 044404 (2019) - Published 10 April, 2019
Bikas Aryal, Daisuke Morikawa, Kenji Tsuda, Shinya Tsukada, Yukikuni Akishige, and Masami Terauchi
Phys. Rev. Materials 3, 044405 (2019) - Published 12 April, 2019
Araceli Aznar, Adrià Gràcia-Condal, Antoni Planes, Pol Lloveras, Maria Barrio, Josep-Lluís Tamarit, Wenxin Xiong, Daoyong Cong, Catalin Popescu, and Lluís Mañosa
Phys. Rev. Materials 3, 044406 (2019) - Published 16 April, 2019
The large change of unit cell volume at the martensitic transition of all--metal Heusler shape memory alloys suggests that these compounds are prone to exhibit a large barocaloric response. In this paper, the composition of a Ni-Mn-Ti alloy has been tailored so that it undergoes a martenistic transition between two structural phases which do not ferromagnetically order, thereby leading to a large transition entropy change. The combination of large entropy and volume changes confers to this alloy an outstanding barocaloric effect close to room temperature. The barocaloric performances found for the studied compound outperform those reported for other shape memory Heusler alloys, and are among the largest values reported for the best state-of-the-art intermetallic compounds. The reported results place all--metal Heusler shape memory alloys at the forefront of caloric materials to be used in clean solid-state refrigeration technologies.
Lina Chen, Zhen Wang, Gaomin Wang, Hangwen Guo, Mohammad Saghayezhian, Zhaoliang Liao, Yimei Zhu, E. W. Plummer, and Jiandi Zhang
Phys. Rev. Materials 3, 044407 (2019) - Published 22 April, 2019
Dai Kutsuzawa, Yasushi Hirose, Yuki Sugisawa, Junichi Kikuda, Daiichiro Sekiba, and Tetsuya Hasegawa
Phys. Rev. Materials 3, 044408 (2019) - Published 22 April, 2019
Gautam Gurung, Ding-Fu Shao, Tula R. Paudel, and Evgeny Y. Tsymbal
Phys. Rev. Materials 3, 044409 (2019) - Published 23 April, 2019
Chengcheng Xiao, Xinwei Wang, Xiaodong Pi, Shengyuan A. Yang, Yuanping Feng, Yunhao Lu, and Shengbai Zhang
Phys. Rev. Materials 3, 044410 (2019) - Published 24 April, 2019
Austin Virtue, Xiuquan Zhou, Brandon Wilfong, Jeffrey W. Lynn, Keith Taddei, Peter Zavalij, Limin Wang, and Efrain E. Rodriguez
Phys. Rev. Materials 3, 044411 (2019) - Published 30 April, 2019
J. Honolka, C. Hogan, M. Vondráček, Y. Polyak, F. Arciprete, and E. Placidi
Phys. Rev. Materials 3, 044601 (2019) - Published 5 April, 2019
Francesco Naccarato, Francesco Ricci, Jin Suntivich, Geoffroy Hautier, Ludger Wirtz, and Gian-Marco Rignanese
Phys. Rev. Materials 3, 044602 (2019) - Published 5 April, 2019
Tomoya Gake, Yu Kumagai, and Fumiyasu Oba
Phys. Rev. Materials 3, 044603 (2019) - Published 9 April, 2019
M. Andrä, H. Bluhm, R. Dittmann, C. M. Schneider, R. Waser, D. N. Mueller, and F. Gunkel
Phys. Rev. Materials 3, 044604 (2019) - Published 15 April, 2019
Zhi Wang, Jun-Wei Luo, and Alex Zunger
Phys. Rev. Materials 3, 044605 (2019) - Published 26 April, 2019
Mao Wang, R. Hübner, Chi Xu, Yufang Xie, Y. Berencén, R. Heller, L. Rebohle, M. Helm, S. Prucnal, and Shengqiang Zhou
Phys. Rev. Materials 3, 044606 (2019) - Published 26 April, 2019
Donghan Shin, Tobias Hadamek, and Alexander A. Demkov
Phys. Rev. Materials 3, 044607 (2019) - Published 30 April, 2019
Erik Piatti, Takafumi Hatano, Dario Daghero, Francesco Galanti, Claudio Gerbaldi, Salvatore Guastella, Chiara Portesi, Ibuki Nakamura, Ryosuke Fujimoto, Kazumasa Iida, Hiroshi Ikuta, and Renato S. Gonnelli
Phys. Rev. Materials 3, 044801 (2019) - Published 15 April, 2019
Kai Liu, Zhong-Yi Lu, and Tao Xiang
Phys. Rev. Materials 3, 044802 (2019) - Published 24 April, 2019
Z. Guguchia, B. A. Frandsen, D. Santos-Cottin, S. C. Cheung, Z. Gong, Q. Sheng, K. Yamakawa, A. M. Hallas, M. N. Wilson, Y. Cai, J. Beare, R. Khasanov, R. De Renzi, G. M. Luke, S. Shamoto, A. Gauzzi, Y. Klein, and Y. J. Uemura
Phys. Rev. Materials 3, 045001 (2019) - Published 5 April, 2019
Hidetomo Usui, Masayuki Ochi, Sota Kitamura, Takashi Oka, Daisuke Ogura, Helge Rosner, Maurits W. Haverkort, Veronika Sunko, Philip D. C. King, Andrew P. Mackenzie, and Kazuhiko Kuroki
Phys. Rev. Materials 3, 045002 (2019) - Published 12 April, 2019
Oxides are usually considered as insulators or bad metals. This study shows that oxides can in some cases be surprisingly good metals owing to a combination of two factors. One is that the group velocity of the bands can be very large due to an unexpected contribution coming from a small mixture of the -orbital component. Another point is that “kagome lattices,” which are topologically nontrivial but rarely seen explicitly in actual materials, can be hidden in multiorbital systems on triangular lattices (which are often seen in actual materials). This results in an orbital-momentum locking, which leads to a strong suppression of the electron scattering.
Yifan Zhu and Badreddine Assouar
Phys. Rev. Materials 3, 045201 (2019) - Published 16 April, 2019
Kouji Taniguchi, Masaki Nishio, Shuhei Kishiue, Po-Jung Huang, Shojiro Kimura, and Hitoshi Miyasaka
Phys. Rev. Materials 3, 045202 (2019) - Published 26 April, 2019
Michael O. Atambo, Daniele Varsano, Andrea Ferretti, S. Samaneh Ataei, Marilia J. Caldas, Elisa Molinari, and Annabella Selloni
Phys. Rev. Materials 3, 045401 (2019) - Published 2 April, 2019
Bruno Frka-Petesic, Gen Kamita, Giulia Guidetti, and Silvia Vignolini
Phys. Rev. Materials 3, 045601 (2019) - Published 17 April, 2019
The vertical compression experienced upon casting a suspension of cellulose nanocrystals leads to many structural features impacting their structural color. Upon solvent evaporation, the suspension first undergoes a phase transition into a colloidal cholesteric liquid crystal and then turns into a locked structure as the sample becomes kinetically arrested. Combining model and experiments, we show that further solvent evaporation leads to complex reorientation of the domains, angular pitch variation and helicoidal distortions. These effects explain the complex optical response, including the redshift in off-specular reflection, the higher order reflection bands and the reduction of the left-handed polarization of reflected light.
Eric G. Sorte, Amalie L. Frischknecht, and Todd M. Alam
Phys. Rev. Materials 3, 045602 (2019) - Published 19 April, 2019
J. K. Vij, Yu. P. Panarin, S. P. Sreenilayam, M. Alaasar, and C. Tschierske
Phys. Rev. Materials 3, 045603 (2019) - Published 30 April, 2019
Jinghua Song, Yuansha Chen, Hongrui Zhang, Furong Han, Jing Zhang, Xiaobing Chen, Hailin Huang, Jine Zhang, Hui Zhang, Xi Yan, Tahira Khan, Shaojin Qi, Zhihuang Yang, Fengxia Hu, Baogen Shen, and Jirong Sun
Phys. Rev. Materials 3, 045801 (2019) - Published 4 April, 2019
Gregory Cabailh, Jacek Goniakowski, Claudine Noguera, Jacques Jupille, Rémi Lazzari, Jingfeng Li, Pierre Lagarde, and Nicolas Trcera
Phys. Rev. Materials 3, 046001 (2019) - Published 29 April, 2019
