Volume 3, Issue 11

November 2019

Browse Issues:

REVIEW ARTICLES

Electronic properties of chemically doped graphene

Frédéric Joucken, Luc Henrard, and Jérôme Lagoute

Phys. Rev. Materials 3, 110301 (2019) - Published 8 November, 2019

The controlled modification of graphene’s electronic structure through chemical doping is a promising way to expand its possible applications. It is also a subject of interest for fundamental research as the effects of the dopants on the electronic structure of a two-dimensional (2D) material differ vastly from chemical doping of conventional 3D semiconductors such as silicon. In this research update, the authors describe the main results obtained so far on the modification of the electronic properties of graphene upon chemical doping. This includes the atomic scale characterization of the dopant configuration and charge distribution as probed by scanning tunneling microscopy and spectroscopy, momentum-resolved band structure modification as probed by angle-resolved photoemission spectroscopy, and detailed scattering mechanisms information obtained from magnetoresistance measurements. They give an exhaustive and critical account of the above-mentioned subjects, describe open questions, and suggest future research directions.

Simulating noncontact atomic force microscopy images

James R. Chelikowsky, Dingxin Fan, Alex J. Lee, and Yuki Sakai

Phys. Rev. Materials 3, 110302 (2019) - Published 27 November, 2019

The possibility of imaging the internal chemical structure of molecular species is an ongoing challenge. Enormous strides to address this challenge have recently been made using the frequency-modulation mode of noncontact atomic force microscopy (nc-AFM), which is one of the most successful scanning probe microscopies. While experimental advances make it possible to observe the subatomic structure of a chemical species, the concurrent theoretical understanding of such imaging techniques remains problematic. Interpretation of nc-AFM images is not straightforward. The analysis of an image can be time consuming and can vary from worker to worker. In our Research Update, we address the role of replicating forces on the probe tip to simulate nc-AFM images, which is a difficult computational problem. We examine several computational approaches and illustrate how recent algorithmic developments can produce reliable images. We also suggest new pathways to overcome remaining obstacles in this rapidly evolving field.

RAPID COMMUNICATIONS

Two-dimensional materials

RAPID COMMUNICATION

Visualizing the metal- $Mo S_{2}$ contacts in two-dimensional field-effect transistors with atomic resolution

Ryan J. Wu, Sagar Udyavara, Rui Ma, Yan Wang, Manish Chhowalla, Turan Birol, Steven J. Koester, Matthew Neurock, and K. Andre Mkhoyan

Phys. Rev. Materials 3, 111001(R) (2019) - Published 8 November, 2019

Magnetic, ferroelectric, and multiferroic materials

RAPID COMMUNICATION

Quasi-one-dimensional ferroelectricity and piezoelectricity in $WO X_{4}$ halogens

Ling-Fang Lin, Yang Zhang, Adriana Moreo, Elbio Dagotto, and Shuai Dong

Phys. Rev. Materials 3, 111401(R) (2019) - Published 21 November, 2019

RAPID COMMUNICATION

In-plane hexagonal antiferromagnet in the Cu-Mn-As system ${Cu}_{0.82} {Mn}_{1.18} As$

Manohar H. Karigerasi, Kisung Kang, Arun Ramanathan, Danielle L. Gray, Matthias D. Frontzek, Huibo Cao, André Schleife, and Daniel P. Shoemaker

Phys. Rev. Materials 3, 111402(R) (2019) - Published 27 November, 2019

Semiconducting materials

RAPID COMMUNICATION

Excitonic enhancement of optical nonlinearities in perovskite ${CH}_{3} {NH}_{3} {PbCl}_{3}$ single crystals

Keiichi Ohara, Takumi Yamada, Hirokazu Tahara, Tomoko Aharen, Hideki Hirori, Hidekatsu Suzuura, and Yoshihiko Kanemitsu

Phys. Rev. Materials 3, 111601(R) (2019) - Published 6 November, 2019

Other electronic materials

RAPID COMMUNICATION

Unveiling two deuteration effects on hydrogen-bond breaking process of water isotopomers

Fumiaki Kato, Toshiki Sugimoto, Kuniaki Harada, Kazuya Watanabe, and Yoshiyasu Matsumoto

Phys. Rev. Materials 3, 112001(R) (2019) - Published 27 November, 2019

Soft, molecular, and amorphous materials

RAPID COMMUNICATION

Johari-Goldstein relaxation in glass electrets

P. Lunkenheimer, F. Humann, D. Reuter, K. Geirhos, A. Loidl, and G. P. Johari

Phys. Rev. Materials 3, 112601(R) (2019) - Published 27 November, 2019

ARTICLES

Crystal growth, crystallization, and kinetics

Commensurate to incommensurate magnetic phase transition in honeycomb-lattice pyrovanadate ${Mn}_{2} V_{2} O_{7}$

J. Sannigrahi, D. T. Adroja, R. Perry, M. J. Gutmann, V. Petricek, and D. Khalyavin

Phys. Rev. Materials 3, 113401 (2019) - Published 18 November, 2019

Spacing homogenization in lamellar eutectic arrays with anisotropic interphase boundaries

M. Ignacio and M. Plapp

Phys. Rev. Materials 3, 113402 (2019) - Published 25 November, 2019

Structural and mechanical properties

Evolution of a bicontinuous structure in peritectic melting: The simplest form of dealloying

Wen-Kai Hu, Jun-Chao Shao, Shao-Gang Wang, and Hai-Jun Jin

Phys. Rev. Materials 3, 113601 (2019) - Published 11 November, 2019

Failure of fracture toughness criterion at small scales

Yangyang Cheng, Long Yu, Lirong Chen, Wenbin Liu, Xin Yi, and Huiling Duan

Phys. Rev. Materials 3, 113602 (2019) - Published 11 November, 2019

Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy

Yuji Ikeda, Isao Tanaka, Jörg Neugebauer, and Fritz Körmann

Phys. Rev. Materials 3, 113603 (2019) - Published 12 November, 2019

Solubility of deuterium and hydrogen in fcc iron at high pressures and temperatures

Vladimir E. Antonov, Vladislav M. Gurev, Valery I. Kulakov, Mikhail A. Kuzovnikov, Ilia A. Sholin, and Victoria Y. Zuykova

Phys. Rev. Materials 3, 113604 (2019) - Published 18 November, 2019

Finite-temperature simulation of anharmonicity and octahedral tilting transitions in halide perovskites

Jonathon S. Bechtel, John C. Thomas, and Anton Van der Ven

Phys. Rev. Materials 3, 113605 (2019) - Published 18 November, 2019

Coherent-strained superconducting $BaP b_{1 - x} B i_{x} O_{3}$ thin films by interface engineering

Jinkwon Kim, Junsik Mun, Bongju Kim, Han Gyeol Lee, Daesu Lee, Tae Heon Kim, Shinbuhm Lee, Miyoung Kim, Seo Hyoung Chang, and Tae Won Noh

Phys. Rev. Materials 3, 113606 (2019) - Published 21 November, 2019

Materials synthesis, neutron powder diffraction, and first-principles calculations of $({Mo}_{x} {Sc}_{1 - x})_{2} AlC$ $i - MAX$ phase used as parent material for MXene derivation

A. Mockute, Q. Tao, M. Dahlqvist, J. Lu, S. Calder, E. N. Caspi, L. Hultman, and J. Rosen

Phys. Rev. Materials 3, 113607 (2019) - Published 27 November, 2019

Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory

I. S. Winter, M. de Jong, J. Montoya, E. Rothchild, and D. C. Chrzan

Phys. Rev. Materials 3, 113608 (2019) - Published 27 November, 2019

Development of new methods for materials

Generalized Kanzaki force field of extended defects in crystals with applications to the modeling of edge dislocations

B. Gurrutxaga-Lerma and J. Verschueren

Phys. Rev. Materials 3, 113801 (2019) - Published 4 November, 2019

Optimizing the formation of depth-confined nitrogen vacancy center spin ensembles in diamond for quantum sensing

Tim R. Eichhorn, Claire A. McLellan, and Ania C. Bleszynski Jayich

Phys. Rev. Materials 3, 113802 (2019) - Published 7 November, 2019

Tomographic reconstruction of triaxial strain fields from Bragg-edge neutron imaging

J. N. Hendriks, A. W. T. Gregg, R. R. Jackson, C. M. Wensrich, A. Wills, A. S. Tremsin, T. Shinohara, V. Luzin, and O. Kirstein

Phys. Rev. Materials 3, 113803 (2019) - Published 26 November, 2019

Two-dimensional materials

Cathodoluminescence enhancement and quenching in type-I van der Waals heterostructures: Cleanliness of the interfaces and defect creation

G. Nayak, S. Lisi, W. L. Liu, T. Jakubczyk, P. Stepanov, F. Donatini, K. Watanabe, T. Taniguchi, A. Bid, J. Kasprzak, M. Richard, V. Bouchiat, J. Coraux, L. Marty, N. Bendiab, and J. Renard

Phys. Rev. Materials 3, 114001 (2019) - Published 21 November, 2019

Dynamics of graphene/Al interfaces using COMB3 potentials

Difan Zhang, Alexandre F. Fonseca, Tao Liang, Simon R. Phillpot, and Susan B. Sinnott

Phys. Rev. Materials 3, 114002 (2019) - Published 27 November, 2019

Topological and Dirac materials

Flat bands and higher-order topology in polymerized triptycene: Tight-binding analysis on decorated star lattices

Tomonari Mizoguchi, Mina Maruyama, Susumu Okada, and Yasuhiro Hatsugai

Phys. Rev. Materials 3, 114201 (2019) - Published 13 November, 2019

Scattering rate collapse driven by a van Hove singularity in the Dirac semimetal ${PdTe}_{2}$

Erik van Heumen, Maarten Berben, Linda Neubrand, and Yingkai Huang

Phys. Rev. Materials 3, 114202 (2019) - Published 18 November, 2019

Electronic, magnetic, and thermodynamic properties of the kagome layer compound FeSn

Brian C. Sales, Jiaqiang Yan, William R. Meier, Andrew D. Christianson, Satoshi Okamoto, and Michael A. McGuire

Phys. Rev. Materials 3, 114203 (2019) - Published 25 November, 2019

Magnetic, ferroelectric, and multiferroic materials

Enhancement of magnetodielectric coupling in 6H-perovskites ${Ba}_{3} R {Ru}_{2} O_{9}$ for heavier rare-earth cations ( $R = Ho, Tb$ )

Tathamay Basu, Vincent Caignaert, Somnath Ghara, Xianglin Ke, Alain Pautrat, Stephan Krohns, Alois Loidl, and Bernard Raveau

Phys. Rev. Materials 3, 114401 (2019) - Published 1 November, 2019

Microscopic toy model for magnetoelectric effect in polar ${Fe}_{2} {Mo}_{3} O_{8}$

I. V. Solovyev and S. V. Streltsov

Phys. Rev. Materials 3, 114402 (2019) - Published 4 November, 2019

Critical behavior of intercalated quasi-van der Waals ferromagnet $F e_{0.26} Ta S_{2}$

Chenhui Zhang, Ye Yuan, Mao Wang, Peng Li, Junwei Zhang, Yan Wen, Shengqiang Zhou, and Xi-Xiang Zhang

Phys. Rev. Materials 3, 114403 (2019) - Published 5 November, 2019

Lattice relaxations around individual dopant atoms in $SrTi O_{3}$

Salva Salmani-Rezaie, Honggyu Kim, Kaveh Ahadi, and Susanne Stemmer

Phys. Rev. Materials 3, 114404 (2019) - Published 8 November, 2019

Electrically driven ferroelastic domain walls, domain wall interactions, and moving needle domains

Guangming Lu, Suzhi Li, Xiangdong Ding, Jun Sun, and Ekhard K. H. Salje

Phys. Rev. Materials 3, 114405 (2019) - Published 8 November, 2019

Tunable properties and potential half-metallicity in $({Co}_{2 - x} {Ti}_{x}) FeGe$ Heusler alloys: An experimental and theoretical investigation

Shambhu KC, R. Mahat, S. Regmi, A. Mukherjee, P. Padhan, R. Datta, W. H. Butler, A. Gupta, and P. LeClair

Phys. Rev. Materials 3, 114406 (2019) - Published 8 November, 2019

Complex transport and magnetism in inhomogeneous mixed valence ${Ce}_{3} {Ir}_{4} {Ge}_{13}$

A. M. Hallas, C. L. Huang, Binod K. Rai, A. Weiland, Gregory T. McCandless, Julia Y. Chan, J. Beare, G. M. Luke, and E. Morosan

Phys. Rev. Materials 3, 114407 (2019) - Published 12 November, 2019

Neutron scattering measurement of crystalline-electric fields in magnesium rare-earth selenide spinels

D. Reig-i-Plessis, A. Cote, S. van Geldern, R. D. Mayrhofer, A. A. Aczel, and G. J. MacDougall

Phys. Rev. Materials 3, 114408 (2019) - Published 12 November, 2019

Maximization of ferromagnetism in $LaCo O_{3}$ films by competing symmetry

Sisi Li, Jiesu Wang, Qinghua Zhang, Manuel A. Roldan, Lin Shan, Qiao Jin, Shuang Chen, Zhenping Wu, Can Wang, Chen Ge, Meng He, Haizhong Guo, Lin Gu, Kui-juan Jin, and Er-Jia Guo

Phys. Rev. Materials 3, 114409 (2019) - Published 15 November, 2019

Spin-orbit torque in chemically disordered and $L 1_{1}$ -ordered $C u_{100 − x} P t_{x}$

Xinyu Shu, Jing Zhou, Jinyu Deng, Weinan Lin, Jihang Yu, Liang Liu, Chenghang Zhou, Ping Yang, and Jingsheng Chen

Phys. Rev. Materials 3, 114410 (2019) - Published 18 November, 2019

Steplike metamagnetic transitions in a honeycomb lattice antiferromagnet ${Tb}_{2} {Ir}_{3} {Ga}_{9}$

Mojammel A. Khan, Qiang Zhang, Jin-Ke Bao, Randy S. Fishman, A. S. Botana, Y. Choi, G. Fabbris, D. Haskel, John Singleton, and J. F. Mitchell

Phys. Rev. Materials 3, 114411 (2019) - Published 21 November, 2019

Mechanism of strong enhancement of anomalous Nernst effect in Fe by Ga substitution

Hiroyasu Nakayama, Keisuke Masuda, Jian Wang, Asuka Miura, Ken-ichi Uchida, Masayuki Murata, and Yuya Sakuraba

Phys. Rev. Materials 3, 114412 (2019) - Published 25 November, 2019

Synthesis, magnetization, and heat capacity of triangular lattice materials ${NaErSe}_{2}$ and ${KErSe}_{2}$

Jie Xing, Liurukara D. Sanjeewa, Jungsoo Kim, William R. Meier, Andrew F. May, Qiang Zheng, Radu Custelcean, G. R. Stewart, and Athena S. Sefat

Phys. Rev. Materials 3, 114413 (2019) - Published 26 November, 2019

Effect of interfacial interdiffusion on magnetism in epitaxial ${Fe}_{4} N$ films on ${LaAlO}_{3}$ substrates

Nidhi Pandey, S. Pütter, S. M. Amir, V. R. Reddy, D. M. Phase, J. Stahn, Ajay Gupta, and Mukul Gupta

Phys. Rev. Materials 3, 114414 (2019) - Published 26 November, 2019

Chirality switching of an antiferromagnetic spiral wall and its effect on magnetic anisotropy

Q. Li, M. Yang, A. T. N'Diaye, C. Klewe, P. Shafer, N. Gao, T. Y. Wang, E. Arenholz, Xixiang Zhang, C. Hwang, J. Li, and Z. Q. Qiu

Phys. Rev. Materials 3, 114415 (2019) - Published 26 November, 2019

Semiconducting materials

Defect-induced exciton localization in bulk gallium nitride from many-body perturbation theory

D. Kirk Lewis and Sahar Sharifzadeh

Phys. Rev. Materials 3, 114601 (2019) - Published 21 November, 2019

Stabilization of small polarons in ${BaTiO}_{3}$ by local distortions

Naoki Tsunoda, Yu Kumagai, and Fumiyasu Oba

Phys. Rev. Materials 3, 114602 (2019) - Published 27 November, 2019

Superconducting materials

Bulk superconductivity in ${FeTe}_{1 - x} {Se}_{x}$ via physicochemical pumping of excess iron

Lianyang Dong, He Zhao, Ilija Zeljkovic, Stephen D. Wilson, and John W. Harter

Phys. Rev. Materials 3, 114801 (2019) - Published 6 November, 2019

Superconductivity induced by aging and annealing in $K_{1 - δ} {Cr}_{3} {As}_{3} H_{x}$

Jin-Jin Xiang, Ya-Long Yu, Si-Qi Wu, Bai-Zhuo Li, Ye-Ting Shao, Zhang-Tu Tang, Jin-Ke Bao, and Guang-Han Cao

Phys. Rev. Materials 3, 114802 (2019) - Published 12 November, 2019

Superconductivity in tin selenide under pressure

Giovanni Marini, Paolo Barone, Antonio Sanna, Cesare Tresca, Lara Benfatto, and Gianni Profeta

Phys. Rev. Materials 3, 114803 (2019) - Published 14 November, 2019

Untwinned ${YBa}_{2} {Cu}_{3} O_{7 - δ}$ thin films on MgO substrates: A platform to study strain effects on the local orders in cuprates

Riccardo Arpaia, Eric Andersson, Alexei Kalaboukhov, Elsebeth Schröder, Edoardo Trabaldo, Regina Ciancio, Goran Dražić, Pasquale Orgiani, Thilo Bauch, and Floriana Lombardi

Phys. Rev. Materials 3, 114804 (2019) - Published 20 November, 2019

Structural and nanochemical properties of $Al O_{x}$ layers in $Al / Al O_{x} / Al$ -layer systems for Josephson junctions

S. Fritz, L. Radtke, R. Schneider, M. Luysberg, M. Weides, and D. Gerthsen

Phys. Rev. Materials 3, 114805 (2019) - Published 21 November, 2019

Direct observation of apical oxygen vacancies in the high-temperature superconductor $YB a_{2} C u_{3} O_{7 - x}$

Steven T. Hartman, Bernat Mundet, Juan-Carlos Idrobo, Xavier Obradors, Teresa Puig, Jaume Gázquez, and Rohan Mishra

Phys. Rev. Materials 3, 114806 (2019) - Published 22 November, 2019

Other electronic materials

Tuning the metal-insulator transition in epitaxial $SrV O_{3}$ films by uniaxial strain

Changan Wang, Hongbin Zhang, Kumar Deepak, Chao Chen, Arnaud Fouchet, Juanmei Duan, Donovan Hilliard, Ulrich Kentsch, Deyang Chen, Min Zeng, Xingsen Gao, Yu-Jia Zeng, Manfred Helm, Wilfrid Prellier, and Shengqiang Zhou

Phys. Rev. Materials 3, 115001 (2019) - Published 13 November, 2019

High-density electron doping of ${SmNiO}_{3}$ from first principles

Michele Kotiuga and Karin M. Rabe

Phys. Rev. Materials 3, 115002 (2019) - Published 15 November, 2019

Local structure of potassium doped nickel oxide: A combined experimental-theoretical study

Friederike Wrobel, Hyeondeok Shin, George E. Sterbinsky, Haw-Wen Hsiao, Jian-Min Zuo, P. Ganesh, Jaron T. Krogel, Anouar Benali, Paul R. C. Kent, Olle Heinonen, and Anand Bhattacharya

Phys. Rev. Materials 3, 115003 (2019) - Published 18 November, 2019

Metamaterials, optical, photonic, and plasmonic materials

Quantum yield measurements by thermal lens in highly absorbing samples: The case of highly doped rhodamine B organic/silica xerogels

J. F. M. dos Santos, V. S. Zanuto, M. Ventura, C. B. Bramorski, T. Catunda, D. S. Manoel, L. C. Malacarne, and F. S. de Vicente

Phys. Rev. Materials 3, 115201 (2019) - Published 4 November, 2019

Tuning the electronic band gap of ${Cu}_{2} O$ via transition metal doping for improved photovoltaic applications

Aleksandar Živković, Alberto Roldan, and Nora H. de Leeuw

Phys. Rev. Materials 3, 115202 (2019) - Published 13 November, 2019

Electron-phonon coupling and hot electron thermalization in titanium nitride

Stefano Dal Forno and Johannes Lischner

Phys. Rev. Materials 3, 115203 (2019) - Published 21 November, 2019

Materials for energy harvesting, storage, and generation

Thermoelectric properties, metal-insulator transition, and magnetism: Revisiting the $N i_{1 - x} C u_{x} S_{2}$ system

Antoine Maignan, Ramzy Daou, Emmanuel Guilmeau, David Berthebaud, Tristan Barbier, Oleg Lebedev, and Sylvie Hébert

Phys. Rev. Materials 3, 115401 (2019) - Published 25 November, 2019

Boosting ionic conductivity in antiperovskite ${Li}_{3} OCl$ via defect engineering: Interstitial versus vacancy

Pai Li, Fiaz Hussain, Ping Cui, Zhenyu Li, and Jinlong Yang

Phys. Rev. Materials 3, 115402 (2019) - Published 27 November, 2019

Volume 3, Issue 11

REVIEW ARTICLES

RAPID COMMUNICATIONS

Two-dimensional materials

Magnetic, ferroelectric, and multiferroic materials

Semiconducting materials

Other electronic materials

Soft, molecular, and amorphous materials

ARTICLES

Crystal growth, crystallization, and kinetics

Structural and mechanical properties

Development of new methods for materials

Two-dimensional materials

Topological and Dirac materials

Magnetic, ferroelectric, and multiferroic materials

Semiconducting materials

Superconducting materials

Other electronic materials

Metamaterials, optical, photonic, and plasmonic materials

Materials for energy harvesting, storage, and generation

Nanomaterials