Showing 2018 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2018★ 60 cited

A high-energy density antiferroelectric made by interfacial electrostatic engineering

Julia A. Mundy, Colin A. Heikes, Bastien F. Grosso +11

Dielectric capacitors hold a tremendous advantage for energy storage due to their fast charge/discharge times and stability in comparison to batteries and supercapacitors. A key li…

cond-mat.mtrl-sci2018★ 28 cited

Measurement of Ultrafast Dynamics of Photoexcited Carriers in -GaO by Two-Color Optical Pump-Probe Spectroscopy

Okan Koksal, Nicholas Tanen, Debdeep Jena +2

We report results from ultrafast two-color optical pump-probe spectroscopy on bulk -GaO. A two-photon absorption scheme is used to photoexcite carriers with the pump pul…

cond-mat.mtrl-sci2018★ 51 cited

Interplay between phonons and anisotropic elasticity drives negative thermal expansion in PbTiO

Ethan T. Ritz, Nicole A. Benedek

We use first-principles theory to show that the ingredients assumed to be essential to the occurrence of negative thermal expansion (NTE) -- rigid unit phonon modes with negative G…

cond-mat.mtrl-sci2018★ 7 cited

X-ray reflectivity with a twist: quantitative time-resolved X-ray reflectivity using monochromatic synchrotron radiation

Howie Joress, Shane Quinlan Arlington, Timothy P. Weihs +2

We have developed an improved method of time-resolved x-ray reflectivity (XRR) using monochromatic synchrotron radiation. Our method utilizes a polycapillary x-ray optic to create…

cond-mat.mtrl-sci2018★ 47 cited

Thermodynamics and superconductivity of SSeH

Maximilian Amsler

The compression of SH and its subsequent decomposition to SH, presumably in a cubic Imm structure, has lead to the discovery of conventional superconductivity…

cond-mat.mtrl-sci2018★ 20 cited

Ternary mixed-anion semiconductors with tunable band gaps from machine-learning and crystal structure prediction

Maximilian Amsler, Logan Ward, Vinay I. Hegde +3

We report the computational investigation of a series of ternary XYZ and XYZ compounds with X={Mg, Ca, Sr, Ba}, Y={P, As, Sb, Bi}, and Z={S, Se, Te}. The compos…

cond-mat.mtrl-sci2018★ 5 cited

Spin-orbit torques acting upon a perpendicularly-magnetized Py layer

Tian-Yue Chen, Yongxi Ou, Tsung-Yu Tsai +2

We show that Py, a commonly-used soft ferromagnetic material with weak anisotropy, can become perpendicularly-magnetized while depositing on Ta buffer layer with Hf or Zr insertion…

cond-mat.mtrl-sci2018★ 70 cited

Exceptionally high, strongly temperature dependent, spin Hall conductivity of SrRuO3

Yongxi Ou, Zhe Wang, Celesta S. Chang +7

Spin-orbit torques (SOT) in thin film heterostructures originate from strong spin-orbit interactions (SOI) that, in the bulk, generate a spin current as the result of extrinsic spi…

cond-mat.mtrl-sci2018★ 78 cited

Spin Seebeck imaging of spin-torque switching in antiferromagnetic Pt/NiO heterostructures

Isaiah Gray, Takahiro Moriyama, Nikhil Sivadas +10

As electrical control of Néel order opens the door to reliable antiferromagnetic spintronic devices, understanding the microscopic mechanisms of antiferromagnetic switching is cruc…

cond-mat.mtrl-sci2018★ 28 cited

Ferroelastic twin reorientation mechanisms in shape memory alloys elucidated with 3D X-ray microscopy

Ashley N. Bucsek, Darren C. Pagan, L. Casalena +3

Three-dimensional (3D) X-ray diffraction methods were used to analyze the evolution of the load-induced rearrangements of monoclinic twin microstructures within bulk nickel-titaniu…

cond-mat.mtrl-sci2018★ 62 cited

Irrelevance of magnetic proximity effect to spin-orbit torques in heavy metal/ferromagnet bilayers

L. J. Zhu, D. C. Ralph, R. A. Buhrman

The magnetic proximity effect (MPE) is a well-established magnetic phenomenon that occurs at certain heavy metal (HM)/ferromagnet (FM) interfaces. However, there is still an active…

cond-mat.mtrl-sci2018★ 89 cited

Searching for Materials with High Refractive Index and Wide Band Gap: A First-Principles High-Throughput Study

Francesco Naccarato, Francesco Ricci, Jin Suntivich +3

Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically d…

cond-mat.mtrl-sci2018★ 105 cited

Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CHNHPbI from Multiphonon Fröhlich Coupling

Martin Schlipf, Samuel Poncé, Feliciano Giustino

We elucidate the nature of the electron-phonon interaction in the archetypal hybrid perovskite CHNHPbI using ab initio many-body calculations and an exactly solvable mo…

cond-mat.mtrl-sci2018★ 126 cited

Anisotropic spin-orbit torque generation in epitaxial SrIrO3 by symmetry design

T. Nan, T. J. Anderson, J. Gibbons +13

Spin-orbit coupling (SOC), the interaction between the electron spin and the orbital angular momentum, can unlock rich phenomena at interfaces, in particular interconverting spin a…

cond-mat.mtrl-sci2018★ 11 cited

Hybrid Halide Perovskites: Fundamental Theory and Materials Design

Marina R. Filip, George Volonakis, Feliciano Giustino

Hybrid organic-inorganic halide perovskites have emerged as a disruptive new class of materials, exhibiting optimum properties for a broad range of optoelectronic applications, mos…

cond-mat.mtrl-sci2018★ 27 cited

Quasiparticle band structures and Fermi surfaces of bulk and monolayer NbS

Christoph Heil, Martin Schlipf, Feliciano Giustino

In this work we employ the approximation in the framework of the SternheimerGW method to investigate the effects of many-body corrections to the band structures and Fermi surf…

cond-mat.mtrl-sci2018★ 703 cited

Stacking-Dependent Magnetism in Bilayer CrI

Nikhil Sivadas, Satoshi Okamoto, Xiaodong Xu +2

We report the connection between the stacking order and magnetic properties of bilayer CrI using first-principles calculations. We show that the stacking order defines the magn…

cond-mat.mtrl-sci2018★ 209 cited

A polarization-induced 2D hole gas in undoped gallium nitride quantum wells

Reet Chaudhuri, Samuel James Bader, Zhen Chen +4

The long-missing polarization-induced two-dimensional hole gas is finally observed in undoped gallium nitride quantum wells. Experimental results provide unambiguous proof that a 2…

cond-mat.mtrl-sci2018★ 2 cited

Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach

Fabio Caruso, Carla Verdi, Feliciano Giustino

The interaction of electrons with crystal lattice vibrations (phonons) and collective charge-density fluctuations (plasmons) influences profoundly the spectral properties of solids…

cond-mat.mtrl-sci2018★ 40 cited

Atomic scale analysis of Nb3Sn on Nb prepared by a vapor-diffusion process for superconducting radiofrequency cavity applications

Jaeyel Lee, Sam Posen, Zugang Mao +5

We report an atomic-scale analysis of the microstructure of Nb3Sn coating on Nb prepared by vapor diffusion process for superconducting radiofrequency (SRF) cavity application usin…

cond-mat.mtrl-sci2018★ 163 cited

Manipulating matter with strong coupling: harvesting triplet excitons in organic exciton microcavities

Daniel Polak, Rahul Jayaprakash, Anastasia Leventis +8

Exciton-polaritons are quasiparticles with mixed photon and exciton character that demonstrate rich quantum phenomena, novel optoelectronic devices and the potential to modify chem…

cond-mat.mtrl-sci2018★ 263 cited

The Geometric Blueprint of Perovskites

Marina R. Filip, Feliciano Giustino

Perovskite minerals form an essential component of the Earth's mantle, and synthetic crystals are ubiquitous in electronics, photonics, and energy technology. The extraordinary che…

cond-mat.mtrl-sci2018★ 20 cited

Emergence of hidden phases of methylammonium lead-iodide (CHNHPbI) upon compression

José A. Flores-Livas, Daniele Tomerini, Maximilian Amsler +3

We perform a thorough structural search with the minima hopping method (MHM) to explore low-energy structures of methylammonium lead iodide. By combining the MHM with a forcefield,…

cond-mat.mtrl-sci2018★ 2 cited

Enhancement in surface mobility and quantum transport of Bi_(2-x)Sb_(x)Te_(3-y)Se_(y) topological insulator by controlling the crystal growth conditions

Kyu-Bum Han, Su Kong Chong, Akira Nagaoka +4

Despite numerous studies on three-dimensional topological insulators (3D TIs), the controlled growth of high quality (bulk-insulating and high mobility) TIs remains a challenging s…