Materials Science

Authors and titles for cond-mat.mtrl-sci in Apr 2019, skipping first 50

[51]  arXiv:1904.02408 [pdf, ps, other]

Title: Revealing Grain Boundaries and Defect Formation in Nanocrystal Superlattices by Nanodiffraction

Authors: Nastasia Mukharamova, Dmitry Lapkin, Ivan A. Zaluzhnyy, Alexander André, Sergey Lazarev, Young Y. Kim, Michael Sprung, Ruslan P. Kurta, Frank Schreiber, Ivan A. Vartanyants, Marcus Scheele

Comments: 43 pages, 18 Figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[52]  arXiv:1904.02421 [pdf, other]

Title: Bonding properties of amorphous silicon and quantum confinement in the mixed phases of silicon nano slabs

Authors: Zahra Nourbakhsh, Hadi Akbarzadeh

Journal-ref: Solar Energy 184 (2019) 372

Subjects: Materials Science (cond-mat.mtrl-sci)

[53]  arXiv:1904.02432 [pdf, other]

Title: Substitutional Si impurities in monolayer hexagonal boron nitride

Authors: Mohammad Reza Ahmadpour Monazam, Ursula Ludacka, Hannu-Pekka Komsa, Jani Kotakoski

Subjects: Materials Science (cond-mat.mtrl-sci)

[54]  arXiv:1904.02470 [pdf, other]

Title: On the connection between sliding friction and phonon lifetimes: Thermostat induced thermolubricity effects in molecular dynamics simulations

Authors: Richard L. C. Vink

Comments: 9 pages, 7 figures

Journal-ref: Phys. Rev. B 100, 094305 (2019)

Subjects: Materials Science (cond-mat.mtrl-sci); Soft Condensed Matter (cond-mat.soft)

[55]  arXiv:1904.02485 [pdf, ps, other]

Title: First-principles investigations of orthorhombic-cubic phase transition and its effect on thermoelectric properties in cobalt-based ternary alloys

Authors: Sapna Singh, Mohd Zeeshan, Jeroen van den Brink, Hem C. Kandpal

Comments: 11 pages, 5 figures, and two tables

Subjects: Materials Science (cond-mat.mtrl-sci)

[56]  arXiv:1904.02488 [pdf, ps, other]

Title: \textit{Ab initio} study of Bi-based half Heusler alloys as potential thermoelectric prospects

Authors: Sapna Singh, Mohd Zeeshan, Jeroen van den Brink, Hem C. Kandpal

Comments: 10 pages, 6 figures, and two tables

Subjects: Materials Science (cond-mat.mtrl-sci)

[57]  arXiv:1904.02494 [pdf, other]

Title: A fast anharmonic free energy method with an application to vacancies in ZrC

Authors: Thomas A. Mellan, Andrew I. Duff, Blazej Grabowski, Michael W. Finnis

Journal-ref: Phys. Rev. B 100, 024303 (2019)

Subjects: Materials Science (cond-mat.mtrl-sci)

[58]  arXiv:1904.02503 [pdf, ps, other]

Title: Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins

Authors: Tom Ichibha, Ornin Srihakulung, Guo Chao, Adie Tri Hanindriyo, Luckhana Lawtrakul, Kenta Hongo, Ryo Maezono

Subjects: Materials Science (cond-mat.mtrl-sci); Chemical Physics (physics.chem-ph)

[59]  arXiv:1904.02554 [pdf, other]

Title: Impact of single and double oxygen vacancies on electronic transport in Fe/MgO/Fe magnetic tunnel junctions

Authors: Beata Taudul, M. Bowen, M. Alouani

Comments: 31 pages, 11 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[60]  arXiv:1904.02586 [pdf, ps, other]

Title: High-temperature ferroelectric order and magnetic field-cooled effect driven magnetoelectric coupling in R2BaCuO5 (R= Er, Dy, Sm)

Authors: A. Indra, S. Mukherjee, S. Majumdar, O. Gutowski, M. v. Zimmermann, S. Giri

Comments: 9 figures and 2 supporting figures

Journal-ref: Phys. Rev. B 100, 014413 (2019)

Subjects: Materials Science (cond-mat.mtrl-sci)

[61]  arXiv:1904.02589 [pdf, ps, other]

Title: High-temperature deep-level transient spectroscopy system for defect studies in wide-bandgap semiconductors

Authors: S. Majdi, M. Gabrysch, N. Suntornwipat, F. Burmeister, R. Jonsson, K. K. Kovi, A. Hallen

Journal-ref: Review of Scientific Instruments 90, 063903 (2019)

Subjects: Materials Science (cond-mat.mtrl-sci)

[62]  arXiv:1904.02900 [pdf, ps, other]

Title: Initiation and stagnation of room temperature grain coarsening in cyclically strained gold films

Authors: Oleksandr Glushko, Gerhard Dehm

Journal-ref: Acta Materialia 169 (2019) 99-108

Subjects: Materials Science (cond-mat.mtrl-sci)

[63]  arXiv:1904.02913 [pdf, ps, other]

Title: Osmium-Nitrosyl Oxalato-Bridged Lanthanide-Centered Pentanuclear Complexes - Synthesis, Crystal Structures and Magnetic Properties

Authors: Anatolie Gavriluta (ICube), Nicolas Claiser (CMMMB), Paul-Steffen Kuhn, Ghenadie Novitchi (LMI), Jean Bernard Tommasino (LMI), Olga Iasco (LMI), Vadim Druta (LMI), Vladimir Arion, Dominique Luneau (LMI)

Journal-ref: European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2015, 2015 (9), pp.1616-1624

Subjects: Materials Science (cond-mat.mtrl-sci)

[64]  arXiv:1904.02962 [pdf, ps, other]

Title: Sr3CrN3: a new electride with partially filled d-shells

Authors: Padtaraporn Chanhom, Kevin E. Fritz, Lee Burton, Jan Kloppenburg, Yaroslav Filinchuk, Anatolyi Senyshin, Maoyu Wang, Zhenxing Feng, Numpon Insin, Jin Suntivich, Geoffroy Hautier

Journal-ref: Journal of the American Chemical Society, 2019, 141, 27, 10595-10598

Subjects: Materials Science (cond-mat.mtrl-sci)

[65]  arXiv:1904.02975 [pdf, ps, other]

Title: The driving force governing room temperature grain coarsening in thin gold films

Authors: Oleksandr Glushko, Megan J. Cordill

Journal-ref: Scripta Materialia 130 (2017) 42-45

Subjects: Materials Science (cond-mat.mtrl-sci)

[66]  arXiv:1904.02982 [pdf, ps, other]

Title: First-principles Study of Spin-wave Excitations of 3$d$ Transition Metals with Linear Combination of Pseudo-atomic Orbitals

Authors: Teguh Budi Prayitno, Fumiyuki Ishii

Comments: 8 pages, 4 figures

Journal-ref: J. Phys. Soc. Jpn. 88, 054701 (2019)

Subjects: Materials Science (cond-mat.mtrl-sci)

[67]  arXiv:1904.03007 [pdf, ps, other]

Title: Explicit relationship between electrical and topological degradation of polymer-supported metal films subjected to mechanical loading

Authors: Oleksandr Glushko, Philipp Kraker, M.J. Cordill

Journal-ref: Appl. Phys. Lett. 110, 191904 (2017)

Subjects: Materials Science (cond-mat.mtrl-sci)

[68]  arXiv:1904.03021 [pdf, ps, other]

Title: Generation of ground state structures and electronic properties of ternary Al$_x$Ti$_y$Ni$_z$ clusters (x+y+z=6) with a two-stage DFT global search approach

Authors: Pin Wai Koh, Tiem Leong Yoon, Thong Leng Lim, Yee Hui Robin Chang, Eong Sheng Goh

Comments: 30 pages. arXiv admin note: substantial text overlap with arXiv:1810.13343

Subjects: Materials Science (cond-mat.mtrl-sci)

[69]  arXiv:1904.03047 [pdf, other]

Title: Common universal behaviors of magnetic domain walls driven by spin-polarized electrical current and magnetic field

Authors: R. Diaz Pardo, N. Moisan, L. Albornoz, A. Lemaitre, J. Curiale, V. Jeudy

Comments: 3 Figures

Journal-ref: Phys. Rev. B 100, 184420 (2019)

Subjects: Materials Science (cond-mat.mtrl-sci); Disordered Systems and Neural Networks (cond-mat.dis-nn); Mesoscale and Nanoscale Physics (cond-mat.mes-hall)

[70]  arXiv:1904.03062 [pdf, other]

Title: Ultrafast Hot Phonon Dynamics in MgB$_2$ Driven by Anisotropic Electron-Phonon Coupling

Authors: D. Novko, F. Caruso, C. Draxl, E. Cappelluti

Comments: Article as accepted for publication in Physical Review Letters; 6 pages, 3 figures

Journal-ref: Phys. Rev. Lett. 124, 077001 (2020)

Subjects: Materials Science (cond-mat.mtrl-sci); Superconductivity (cond-mat.supr-con)

[71]  arXiv:1904.03070 [pdf, other]

Title: Water oxidation catalysis on reconstructed NaTaO$_3$ (001) surfaces

Authors: Hassan Ouhbi, Ulrich Aschauer

Comments: 19 pages, 8 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[72]  arXiv:1904.03077 [pdf, other]

Title: Nitrogen loss and oxygen evolution reaction activity of perovskite oxynitrides

Authors: Hassan Ouhbi, Ulrich Aschauer

Comments: 15 pages, 7 figures

Subjects: Materials Science (cond-mat.mtrl-sci)

[73]  arXiv:1904.03125 [pdf, other]

Title: Tailoring anomalous Nernst effect in stressed magnetostrictive film grown onto flexible substrate

Authors: Acacio Silveira Melo, Alexandre Barbosa de Oliveira, Carlos Chesman, Rafael Domingues Della Pace, Felipe Bohn, Marcio Assolin Correa

Subjects: Materials Science (cond-mat.mtrl-sci)

[74]  arXiv:1904.03135 [pdf, ps, other]

Title: Hydrocarbons under pressure: phase diagrams and surprising new compounds in the C-H system

Authors: Anastasia S. Naumova, Sergey V. Lepeshkin, Artem R. Oganov

Journal-ref: J. Phys. Chem. C 2019, 123, 33, 20497-20501

Subjects: Materials Science (cond-mat.mtrl-sci)

[75]  arXiv:1904.03138 [pdf, other]

Title: Fragility of Fermi arcs in Dirac semimetals

Authors: Yun Wu, Na Hyun Jo, Lin-Lin Wang, Connor A. Schmidt, Kathryn M. Neilson, Benjamin Schrunk, Przemyslaw Swatek, Andrew Eaton, S. L. Bud'ko, P. C. Canfield, Adam Kaminski

Comments: 6 pages, 4 figures

Journal-ref: Phys. Rev. B 99, 161113(R) 2019

Subjects: Materials Science (cond-mat.mtrl-sci)