Volume 3, Issue 6

June 2019

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Effect of adhesion on material removal during adhesive wear

Ramin Aghababaei

Phys. Rev. Materials 3, 063604 (2019) - Published 11 June, 2019

It has been empirically understood that one can diminish wear by reducing adhesion between sliding surfaces. A clear contribution of interfacial adhesion into the process of surface material removal, however, remains elusive as most wear observations are obtained from post-factum analyses of worn surfaces. Investigating the complete life of an adhesive wear particle, from the formation and growth to detachment, using novel atomistic simulations, this study reveals that reducing interfacial adhesion diminishes the adhesive wear in three disparate ways: i) reducing the probability of surface material removal, ii) increasing the required energy to remove a unit volume of surface material, and iii) alleviating the growth of formed material fragments.

EDITORS' SUGGESTION

Abnormal response of ${Ti}_{3} Si C_{2}$ to high strain-rate loading

Maxim Sokol, Sergey Kalabukhov, Eugene Zaretsky, and Michel W. Barsoum

Phys. Rev. Materials 3, 063610 (2019) - Published 21 June, 2019

The authors of this paper have recently shown that deformation in layered solids is not mediated by basal dislocations, as conventional wisdom would have it, but rather by a new mechanism labeled ripplocations. The latter are defects that form in layered materials as a consequence of confined buckling. Here, using shock wave compression—at extremely high strain rates—of Ti $_{3}$ SiC $_{2}$ , a member of the nanolayered MAX-phase family, the authors show that in some ways Ti $_{3}$ SiC $_{2}$ behaves like a ductile metal but, in others, it behaves more like a hard, brittle ceramic. In other words, the unique dual-nature behavior of Ti $_{3}$ SiC $_{2}$ is like nothing seen before. The authors attribute this behavior to its nanolayered structure and believe it reflects how ripplocations respond to very high strain rates. This work not only provides new results on the dynamic mechanical properties of Ti $_{3}$ SiC $_{2}$ , but is a critical first step towards understanding the response of ripplocations in layered solids to high strain rates.

EDITORS' SUGGESTION

Design and analysis of machine learning exchange-correlation functionals via rotationally invariant convolutional descriptors

Xiangyun Lei and Andrew J. Medford

Phys. Rev. Materials 3, 063801 (2019) - Published 12 June, 2019

In this work, the authors explore a framework for developing machine-learned exchange-correlation (XC) functionals. The approach consists of two parts: a rotationally invariant model space constructed from convolutional kernels, and a neural network to predict the XC energy density. The results show that increasing the number of features in the model space leads to systematically improvable approximations to the B3LYP XC energy for 21 small molecule systems. The XC formation energy is predicted to chemical accuracy based on orbital free descriptors with a range of $<$ 0.2 Angstrom, suggesting this approach provides an efficient route toward semi-local approximations of hybrid functionals.

EDITORS' SUGGESTION

Rotationally aligned hexagonal boron nitride on sapphire by high-temperature molecular beam epitaxy

Ryan Page, Joseph Casamento, Yongjin Cho, Sergei Rouvimov, Huili Grace Xing, and Debdeep Jena

Phys. Rev. Materials 3, 064001 (2019) - Published 4 June, 2019

Hexagonal boron nitride (hBN) plays a crucial role in van der Waals heterostructures and devices as a substrate or dielectric layer. In order to move beyond the exfoliation-based fabrication of such devices, it will be necessary to integrate hBN growth into existing, mature epitaxial platforms. In this paper, the authors utilize ultra-high (>1600 degrees Celsius) temperature to realize the MBE synthesis of few-nanometer films of smooth, layered hBN on conventional sapphire substrates. These films additionally demonstrate a rotational alignment to the substrate, demonstrating an influence of the substrate on the growth of two-dimensional crystalline layers.

EDITORS' SUGGESTION

Dirac nodal lines protected against spin-orbit interaction in ${IrO}_{2}$

J. N. Nelson, J. P. Ruf, Y. Lee, C. Zeledon, J. K. Kawasaki, S. Moser, C. Jozwiak, E. Rotenberg, A. Bostwick, D. G. Schlom, K. M. Shen, and L. Moreschini

Phys. Rev. Materials 3, 064205 (2019) - Published 18 June, 2019

Dirac semimetals have electrons that propagate in the solid as if they had no mass. In rutile iridium oxide IrO $_{2}$ , these unusual electronic states form lines in reciprocal space, which are protected by crystal symmetry against interactions such as spin-orbit coupling. In this work, the authors synthesized epitaxial films of IrO $_{2}$ along two crystal orientations and used angle-resolved photoemission spectroscopy to reveal the existence of two Dirac nodal lines. These cross the Fermi level and therefore directly impact the low-energy properties of the material.

EDITORS' SUGGESTION

Molecular beam epitaxy of electron-doped infinite-layer ${Ca}_{1 - x} R_{x} {CuO}_{2}$ thin films

Ai Ikeda, Yoshiharu Krockenberger, and Hideki Yamamoto

Phys. Rev. Materials 3, 064803 (2019) - Published 17 June, 2019

Infinite-layer CaCuO $_{2}$ is an isolated essential block of high-temperature superconducting cuprates while superconductivity in this phase remains elusive. Using molecular beam epitaxy equipped with an atomic oxygen source, the authors present the growth of single crystalline electron-doped infinite-layer Ca $_{1 - x} R_{x}$ CuO $_{2}$ ( $R$ = La $^{3 +}$ , Nd $^{3 +}$ , and Ce $^{4 +}$ ) thin films. The $R$ substitution significantly enhances the coherent crystal volume and the electronic conductivity. Traces of superconductivity are observed for the Nd substitution of 0.06. Microscopic defects limit the electronic transport of the CuO $_{2}$ planes, thus the suppression of superconductivity.

RAPID COMMUNICATIONS

Crystal growth, crystallization, and kinetics

RAPID COMMUNICATION

Jahn-Teller reconstructed surface of the doped manganites shown by means of surface-enhanced Raman spectroscopy

S. Merten, V. Bruchmann-Bamberg, B. Damaschke, K. Samwer, and V. Moshnyaga

Phys. Rev. Materials 3, 060401(R) (2019) - Published 28 June, 2019

Structural and mechanical properties

RAPID COMMUNICATION

Heterogeneous disconnection nucleation mechanisms during grain boundary migration

N. Combe, F. Mompiou, and M. Legros

Phys. Rev. Materials 3, 060601(R) (2019) - Published 17 June, 2019

RAPID COMMUNICATION

Superconductivity in a new hexagonal high-entropy alloy

Sourav Marik, Kapil Motla, Maneesha Varghese, K. P. Sajilesh, Deepak Singh, Y. Breard, P. Boullay, and R. P. Singh

Phys. Rev. Materials 3, 060602(R) (2019) - Published 27 June, 2019

Development of new methods for materials

RAPID COMMUNICATION

Freestanding crystalline $YB a_{2} C u_{3} O_{7 - x}$ heterostructure membranes

Zhuoyu Chen, Bai Yang Wang, Berit H. Goodge, Di Lu, Seung Sae Hong, Danfeng Li, Lena F. Kourkoutis, Yasuyuki Hikita, and Harold Y. Hwang

Phys. Rev. Materials 3, 060801(R) (2019) - Published 24 June, 2019

Topological and Dirac materials

RAPID COMMUNICATION

Structure and basal twinning of topological insulator $B i_{2} S e_{3}$ grown by MBE onto crystalline $Y_{3} F e_{5} O_{12}$

Danielle Reifsnyder Hickey, Javad G. Azadani, Anthony R. Richardella, James C. Kally, Joon Sue Lee, Houchen Chang, Tao Liu, Mingzhong Wu, Nitin Samarth, Tony Low, and K. Andre Mkhoyan

Phys. Rev. Materials 3, 061201(R) (2019) - Published 25 June, 2019

Magnetic, ferroelectric, and multiferroic materials

RAPID COMMUNICATION

Redox-controlled epitaxy and magnetism of oxide heterointerfaces: $EuO / {SrTiO}_{3}$

Patrick Lömker and Martina Müller

Phys. Rev. Materials 3, 061401(R) (2019) - Published 20 June, 2019

Semiconducting materials

RAPID COMMUNICATION

Experimental realization of a semiconducting quasicrystalline approximant in Al-Si-Ru system by band engineering

Yutaka Iwasaki, Koichi Kitahara, and Kaoru Kimura

Phys. Rev. Materials 3, 061601(R) (2019) - Published 7 June, 2019

RAPID COMMUNICATION

Formation of two-dimensional electron and hole gases at the interface of half-Heusler semiconductors

Abhishek Sharan, Zhigang Gui, and Anderson Janotti

Phys. Rev. Materials 3, 061602(R) (2019) - Published 10 June, 2019

Materials for energy harvesting, storage, and generation

RAPID COMMUNICATION

Improved magnetostructural and magnetocaloric reversibility in magnetic Ni-Mn-In shape-memory Heusler alloy by optimizing the geometric compatibility condition

P. Devi, C. Salazar Mejía, M. Ghorbani Zavareh, K. K. Dubey, Pallavi Kushwaha, Y. Skourski, C. Felser, M. Nicklas, and Sanjay Singh

Phys. Rev. Materials 3, 062401(R) (2019) - Published 17 June, 2019

ARTICLES

Crystal growth, crystallization, and kinetics

Sharp contrast in the electrical and optical properties of vanadium Wadsley $(V_{m} O_{2 m + 1}, m > 1)$ epitaxial films selectively stabilized on (111)-oriented Y-stabilized $Zr O_{2}$

Songhee Choi, Jaeseok Son, Junhyeob Oh, Ji-Hyun Lee, Jae Hyuck Jang, and Shinbuhm Lee

Phys. Rev. Materials 3, 063401 (2019) - Published 4 June, 2019

Structural and mechanical properties

Effect of stress on vacancy formation and migration in body-centered-cubic metals

Pui-Wai Ma and S. L. Dudarev

Phys. Rev. Materials 3, 063601 (2019) - Published 3 June, 2019

Nonlocal van der Waals functionals for solids: Choosing an appropriate one

Fabien Tran, Leila Kalantari, Boubacar Traoré, Xavier Rocquefelte, and Peter Blaha

Phys. Rev. Materials 3, 063602 (2019) - Published 5 June, 2019

van der Waals forces stabilize low-energy polymorphism in $B_{2} O_{3}$ : Implications for the crystallization anomaly

Guillaume Ferlat, Maria Hellgren, François-Xavier Coudert, Henri Hay, Francesco Mauri, and Michele Casula

Phys. Rev. Materials 3, 063603 (2019) - Published 10 June, 2019

EDITORS' SUGGESTION

Effect of adhesion on material removal during adhesive wear

Ramin Aghababaei

Phys. Rev. Materials 3, 063604 (2019) - Published 11 June, 2019

Three-dimensional subnanoscale imaging of unit cell doubling due to octahedral tilting and cation modulation in strained perovskite thin films

Magnus Nord, Andrew Ross, Damien McGrouther, Juri Barthel, Magnus Moreau, Ingrid Hallsteinsen, Thomas Tybell, and Ian MacLaren

Phys. Rev. Materials 3, 063605 (2019) - Published 14 June, 2019

Preferential corrosion of coherent twin boundaries in pure nickel under cathodic charging

Mengying Liu, Matteo Seita, Ta Duong, Winson C. H. Kuo, and Michael J. Demkowicz

Phys. Rev. Materials 3, 063606 (2019) - Published 17 June, 2019

Tetrahedral coordination and low-spin configuration in a $5 d$ oxide

Q. Zhao, J.-H. Sim, Z. Zhang, H. Su, F. Han, Q. Zhang, B. Tian, Q. Xu, M.-J. Han, C.-G. Duan, and J. F. Mitchell

Phys. Rev. Materials 3, 063607 (2019) - Published 17 June, 2019

Crystallographic orientation dependence of mechanical properties in the superelastic Ti-24Nb-4Zr-8Sn alloy

H. Jabir, A. Fillon, P. Castany, and T. Gloriant

Phys. Rev. Materials 3, 063608 (2019) - Published 18 June, 2019

Ionization-induced thermally activated defect-annealing process in SiC

Aurélien Debelle, Lionel Thomé, Isabelle Monnet, Frédérico Garrido, Olli H. Pakarinen, and William J. Weber

Phys. Rev. Materials 3, 063609 (2019) - Published 20 June, 2019

EDITORS' SUGGESTION

Abnormal response of ${Ti}_{3} Si C_{2}$ to high strain-rate loading

Maxim Sokol, Sergey Kalabukhov, Eugene Zaretsky, and Michel W. Barsoum

Phys. Rev. Materials 3, 063610 (2019) - Published 21 June, 2019

Importance of outliers: A three-dimensional study of coarsening in $α$ -phase iron

Yu-Feng Shen, S. Maddali, D. Menasche, A. Bhattacharya, G. S. Rohrer, and R. M. Suter

Phys. Rev. Materials 3, 063611 (2019) - Published 27 June, 2019

Development of new methods for materials

EDITORS' SUGGESTION

Design and analysis of machine learning exchange-correlation functionals via rotationally invariant convolutional descriptors

Xiangyun Lei and Andrew J. Medford

Phys. Rev. Materials 3, 063801 (2019) - Published 12 June, 2019

Stochastic replica voting machine prediction of stable cubic and double perovskite materials and binary alloys

T. Mazaheri, Bo Sun, J. Scher-Zagier, A. S. Thind, D. Magee, P. Ronhovde, T. Lookman, R. Mishra, and Z. Nussinov

Phys. Rev. Materials 3, 063802 (2019) - Published 19 June, 2019

Control of dopant crystallinity in electrochemically treated cuprate thin films

A. Frano, M. Bluschke, Z. Xu, B. Frandsen, Y. Lu, M. Yi, R. Marks, A. Mehta, V. Borzenets, D. Meyers, M. P. M. Dean, F. Baiutti, J. Maier, G. Kim, G. Christiani, G. Logvenov, E. Benckiser, B. Keimer, and R. J. Birgeneau

Phys. Rev. Materials 3, 063803 (2019) - Published 27 June, 2019

Two-dimensional materials

EDITORS' SUGGESTION

Rotationally aligned hexagonal boron nitride on sapphire by high-temperature molecular beam epitaxy

Ryan Page, Joseph Casamento, Yongjin Cho, Sergei Rouvimov, Huili Grace Xing, and Debdeep Jena

Phys. Rev. Materials 3, 064001 (2019) - Published 4 June, 2019

Composition and stacking dependent topology in bilayers from the graphene family

Adrian Popescu, Pablo Rodriguez-Lopez, and Lilia M. Woods

Phys. Rev. Materials 3, 064002 (2019) - Published 21 June, 2019

Stacking, strain, and twist in 2D materials quantified by 3D electron diffraction

Suk Hyun Sung, Noah Schnitzer, Lola Brown, Jiwoong Park, and Robert Hovden

Phys. Rev. Materials 3, 064003 (2019) - Published 25 June, 2019

Atomic-resolution visualization and doping effects of complex structures in intercalated bilayer graphene

Jason P. Bonacum, Andrew O’Hara, De-Liang Bao, Oleg S. Ovchinnikov, Yan-Fang Zhang, Georgy Gordeev, Sonakshi Arora, Stephanie Reich, Juan-Carlos Idrobo, Richard F. Haglund, Sokrates T. Pantelides, and Kirill I. Bolotin

Phys. Rev. Materials 3, 064004 (2019) - Published 28 June, 2019

Topological and Dirac materials

Composition-dependent structural transition in epitaxial ${Bi}_{1 - x} {Sb}_{x}$ thin films on Si(111)

Emily S. Walker, Sarah Muschinske, Christopher J. Brennan, Seung Ryul Na, Tanuj Trivedi, Stephen D. March, Yukun Sun, Tianhao Yang, Alice Yau, Daehwan Jung, Andrew F. Briggs, Erica M. Krivoy, Minjoo L. Lee, Kenneth M. Liechti, Edward T. Yu, Deji Akinwande, and Seth R. Bank

Phys. Rev. Materials 3, 064201 (2019) - Published 7 June, 2019

Crystal growth and magnetic structure of ${MnBi}_{2} {Te}_{4}$

J.-Q. Yan, Q. Zhang, T. Heitmann, Zengle Huang, K. Y. Chen, J.-G. Cheng, Weida Wu, D. Vaknin, B. C. Sales, and R. J. McQueeney

Phys. Rev. Materials 3, 064202 (2019) - Published 7 June, 2019

Nontrivial topological valence bands of common diamond and zinc-blende semiconductors

Tomáš Rauch, Victor A. Rogalev, Maximilian Bauernfeind, Julian Maklar, Felix Reis, Florian Adler, Simon Moser, Johannes Weis, Tien-Lin Lee, Pardeep K. Thakur, Jörg Schäfer, Ralph Claessen, Jürgen Henk, and Ingrid Mertig

Phys. Rev. Materials 3, 064203 (2019) - Published 17 June, 2019

Surface states of strained thin films of the Dirac semimetal ${Cd}_{3} {As}_{2}$

Manik Goyal, Honggyu Kim, Timo Schumann, Luca Galletti, Anton A. Burkov, and Susanne Stemmer

Phys. Rev. Materials 3, 064204 (2019) - Published 18 June, 2019

EDITORS' SUGGESTION

Dirac nodal lines protected against spin-orbit interaction in ${IrO}_{2}$

J. N. Nelson, J. P. Ruf, Y. Lee, C. Zeledon, J. K. Kawasaki, S. Moser, C. Jozwiak, E. Rotenberg, A. Bostwick, D. G. Schlom, K. M. Shen, and L. Moreschini

Phys. Rev. Materials 3, 064205 (2019) - Published 18 June, 2019

Topological semimetal features in the multiferroic hexagonal manganites

Sophie F. Weber, Sinéad M. Griffin, and Jeffrey B. Neaton

Phys. Rev. Materials 3, 064206 (2019) - Published 25 June, 2019

Magnetic, ferroelectric, and multiferroic materials

Enhanced interfacial ferromagnetism and exchange bias in (111)-oriented ${LaNiO}_{3} / {CaMnO}_{3}$ superlattices

C. L. Flint, D. Yi, E. Karapetrova, A. T. N'Diaye, P. Shafer, E. Arenholz, and Y. Suzuki

Phys. Rev. Materials 3, 064401 (2019) - Published 3 June, 2019

Magnetic moment of rare-earth elements in $R_{2} {Fe}_{14} B$ estimated with $μ^{+} SR$

Jun Sugiyama, Kazutoshi Miwa, Hiroshi Nozaki, Yuji Kaneko, Bassam Hitti, Donald Arseneau, Gerald D. Morris, Eduardo J. Ansaldo, and Jess H. Brewer

Phys. Rev. Materials 3, 064402 (2019) - Published 3 June, 2019

Noncollinear spin structure in $F e_{3 + x} C o_{3 - x} T i_{2}$ ( $x = 0, 2, 3$ ) from neutron diffraction

Haohan Wang, Balamurugan Balasubramanian, Rabindra Pahari, Ralph Skomski, Yaohua Liu, Ashfia Huq, D. J. Sellmyer, and Xiaoshan Xu

Phys. Rev. Materials 3, 064403 (2019) - Published 4 June, 2019

Incommensurate magnetism in $K_{2} {MnS}_{2 - x} {Se}_{x}$ and prospects for tunable frustration in a triangular lattice of pseudo-1D spin chains

Ankita Bhutani, Piush Behera, Rebecca D. McAuliffe, Huibo Cao, Ashfia Huq, Melanie J. Kirkham, Clarina R. dela Cruz, Toby Woods, and Daniel P. Shoemaker

Phys. Rev. Materials 3, 064404 (2019) - Published 5 June, 2019

Orbital magnetic moments of phonons

Dominik M. Juraschek and Nicola A. Spaldin

Phys. Rev. Materials 3, 064405 (2019) - Published 6 June, 2019

First-principles screening of $A B O_{3}$ oxides with two magnetic sublattices

Hong Jian Zhao, Laurent Bellaiche, and Jorge Íñiguez

Phys. Rev. Materials 3, 064406 (2019) - Published 10 June, 2019

Itinerant ferromagnetism in rocksalt NdO epitaxial thin films

Daichi Saito, Kenichi Kaminaga, Daichi Oka, and Tomoteru Fukumura

Phys. Rev. Materials 3, 064407 (2019) - Published 13 June, 2019

Hydration of gadolinium oxide ( $Gd O_{x}$ ) and its effect on voltage-induced Co oxidation in a $Pt / Co / Gd O_{x} / Au$ heterostructure

Aik Jun Tan, Mantao Huang, Sara Sheffels, Felix Büttner, Sunho Kim, Adrian H. Hunt, Iradwikanari Waluyo, Harry L. Tuller, and Geoffrey S. D. Beach

Phys. Rev. Materials 3, 064408 (2019) - Published 17 June, 2019

Lorentz TEM investigation of chiral spin textures and Néel Skyrmions in asymmetric ${[Pt / {(Co / Ni)}_{M} / Ir]}_{N}$ multi-layer thin films

Maxwell Li, Derek Lau, Marc De Graef, and Vincent Sokalski

Phys. Rev. Materials 3, 064409 (2019) - Published 19 June, 2019

Magnetic properties of honeycomb-based spin models in verdazyl-based salts

S. Miyamoto, Y. Iwasaki, N. Uemoto, Y. Hosokoshi, H. Fujiwara, S. Shimono, and H. Yamaguchi

Phys. Rev. Materials 3, 064410 (2019) - Published 19 June, 2019

High-pressure synthesis of the $BiV O_{3}$ perovskite

R. A. Klein, A. B. Altman, R. J. Saballos, J. P. S. Walsh, A. D. Tamerius, Y. Meng, D. Puggioni, S. D. Jacobsen, J. M. Rondinelli, and D. E. Freedman

Phys. Rev. Materials 3, 064411 (2019) - Published 20 June, 2019

Influence of antiphase boundary of the MnAl $τ$ -phase on the energy product

S. Arapan, P. Nieves, S. Cuesta-López, M. Gusenbauer, H. Oezelt, T. Schrefl, E. K. Delczeg-Czirjak, H. C. Herper, and O. Eriksson

Phys. Rev. Materials 3, 064412 (2019) - Published 21 June, 2019

Effects of field annealing on MnN/CoFeB exchange bias systems

P. Quarterman, I. Hallsteinsen, M. Dunz, M. Meinert, E. Arenholz, J. A. Borchers, and A. J. Grutter

Phys. Rev. Materials 3, 064413 (2019) - Published 24 June, 2019

Engelhauptite: A variant of $S = \frac{1}{2}$ kagome antiferromagnet

Hajime Ishikawa, Daisuke Nishio-Hamane, Atsushi Miyake, Masashi Tokunaga, Akira Matsuo, Koichi Kindo, and Zenji Hiroi

Phys. Rev. Materials 3, 064414 (2019) - Published 26 June, 2019

Near room temperature antiferromagnetic ordering with a potential low-dimensional magnetism in ${AlMn}_{2} B_{2}$

Tej N. Lamichhane, Khusboo Rana, Qisheng Lin, Sergey L. Bud'ko, Yuji Furukawa, and Paul C. Canfield

Phys. Rev. Materials 3, 064415 (2019) - Published 28 June, 2019

Semiconducting materials

Nonmonotonic band gap evolution in bent phosphorene nanosheets

Vojtěch Vlček, Eran Rabani, Roi Baer, and Daniel Neuhauser

Phys. Rev. Materials 3, 064601 (2019) - Published 7 June, 2019

High-performance transparent conducting oxides through small-polaron transport

Guillaume Brunin, Gian-Marco Rignanese, and Geoffroy Hautier

Phys. Rev. Materials 3, 064602 (2019) - Published 13 June, 2019

Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the $G W$ plus Bethe-Salpeter approach

Dahvyd Wing, Jonah B. Haber, Roy Noff, Bradford Barker, David A. Egger, Ashwin Ramasubramaniam, Steven G. Louie, Jeffrey B. Neaton, and Leeor Kronik

Phys. Rev. Materials 3, 064603 (2019) - Published 28 June, 2019

Superconducting materials

First-principles study of metal-graphene edge contact for ballistic Josephson junction

Yeonghun Lee, Jeongwoon Hwang, Fan Zhang, and Kyeongjae Cho

Phys. Rev. Materials 3, 064801 (2019) - Published 5 June, 2019

Superconductivity in solid-state synthesized (Li,Fe)OHFeSe by tuning Fe vacancies in FeSe layer

G. B. Hu, N. Z. Wang, M. Z. Shi, F. B. Meng, C. Shang, L. K. Ma, X. G. Luo, and X. H. Chen

Phys. Rev. Materials 3, 064802 (2019) - Published 11 June, 2019

EDITORS' SUGGESTION

Molecular beam epitaxy of electron-doped infinite-layer ${Ca}_{1 - x} R_{x} {CuO}_{2}$ thin films

Ai Ikeda, Yoshiharu Krockenberger, and Hideki Yamamoto

Phys. Rev. Materials 3, 064803 (2019) - Published 17 June, 2019

Density functional theory of superconductivity in doped tungsten oxides

Camilla Pellegrini, Henning Glawe, and Antonio Sanna

Phys. Rev. Materials 3, 064804 (2019) - Published 24 June, 2019

Other electronic materials

$A$ -site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates

Hirofumi Akamatsu, Koji Fujita, Toshihiro Kuge, Arnab Sen Gupta, James M. Rondinelli, Isao Tanaka, Katsuhisa Tanaka, and Venkatraman Gopalan

Phys. Rev. Materials 3, 065001 (2019) - Published 10 June, 2019

Structural modification of thin Bi(1 1 1) films by passivation and native oxide model

Christian König, Stephen Fahy, and James C. Greer

Phys. Rev. Materials 3, 065002 (2019) - Published 10 June, 2019

Raman spectroscopy of $f$ -electron metals: An example of ${CeB}_{6}$

Mai Ye, H.-H. Kung, Priscila F. S. Rosa, Eric D. Bauer, Zachary Fisk, and Girsh Blumberg

Phys. Rev. Materials 3, 065003 (2019) - Published 14 June, 2019

Role of the exchange-correlation functional on the structural, electronic, and optical properties of cubic and tetragonal ${SrTiO}_{3}$ including many-body effects

Vijaya Begum, Markus Ernst Gruner, and Rossitza Pentcheva

Phys. Rev. Materials 3, 065004 (2019) - Published 24 June, 2019

Quantum size stabilization of ${Ge}_{3} Pt$ nanofilms on Ge(001)

Bene Poelsema, Ali Safaei, Raoul van Gastel, Harold J. W. Zandvliet, and Arie van Houselt

Phys. Rev. Materials 3, 065005 (2019) - Published 24 June, 2019

Hopping transport in $SrTi O_{3}$ / $N d_{1 − x} Ti O_{3}$ / $SrTi O_{3}$ heterostructures

Laxman Raju Thoutam, Jin Yue, Peng Xu, and Bharat Jalan

Phys. Rev. Materials 3, 065006 (2019) - Published 27 June, 2019

Metamaterials, optical, photonic, and plasmonic materials

Plasmonic multiple exciton generation

Jiantao Kong, Xueyuan Wu, Xin Wang, Michael J. Naughton, and Krzysztof Kempa

Phys. Rev. Materials 3, 065201 (2019) - Published 3 June, 2019

Effective impedance of a locally resonant metasurface

M. Lott and P. Roux

Phys. Rev. Materials 3, 065202 (2019) - Published 7 June, 2019

Switchable omnidirectional acoustic insulation through open window structures with ultrathin metasurfaces

Yong Ge, Hong-xiang Sun, Shou-qi Yuan, and Yun Lai

Phys. Rev. Materials 3, 065203 (2019) - Published 11 June, 2019

Asymmetric coding metasurfaces for the controllable projection of acoustic images

Shuyu Zuo, Ye Tian, Ying Cheng, Mingxi Deng, Ning Hu, and Xiaojun Liu

Phys. Rev. Materials 3, 065204 (2019) - Published 25 June, 2019

CVD growth of ultrapure diamond, generation of NV centers by ion implantation, and their spectroscopic characterization for quantum technological applications

T. Chakraborty, F. Lehmann, J. Zhang, S. Borgsdorf, N. Wöhrl, R. Remfort, V. Buck, U. Köhler, and D. Suter

Phys. Rev. Materials 3, 065205 (2019) - Published 26 June, 2019

Hyperbolic dispersion and negative refraction in a metal-organic framework Cu-BHT

Han Gao, Zhenhai Wang, Xikui Ma, Xiaoming Zhang, Weifeng Li, and Mingwen Zhao

Phys. Rev. Materials 3, 065206 (2019) - Published 26 June, 2019

Materials for energy harvesting, storage, and generation

Strain engineering of ZnO thermal conductivity

Juan Antonio Seijas-Bellido, Riccardo Rurali, Jorge Íñiguez, Luciano Colombo, and Claudio Melis

Phys. Rev. Materials 3, 065401 (2019) - Published 11 June, 2019

Finite temperature optoelectronic properties of BAs from first principles

Ivona Bravić and Bartomeu Monserrat

Phys. Rev. Materials 3, 065402 (2019) - Published 12 June, 2019

Marked enhancement of the photoresponsivity and minority-carrier lifetime of $BaS i_{2}$ passivated with atomic hydrogen

Zhihao Xu, Denis A. Shohonov, Andrew B. Filonov, Kazuhiro Gotoh, Tianguo Deng, Syuta Honda, Kaoru Toko, Noritaka Usami, Dmitri B. Migas, Victor E. Borisenko, and Takashi Suemasu

Phys. Rev. Materials 3, 065403 (2019) - Published 14 June, 2019