Showing 2022 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2022★ 26 cited

Molecular Beam Epitaxy of KTaO

Tobias Schwaigert, Salva Salmani-Razaie, Matthew R. Barone +6

Strain-engineering is a powerful means to tune the polar, structural, and electronic instabilities of incipient ferroelectrics. KTaO3 is near a polar instability and shows anisotro…

cond-mat.mtrl-sci2022★ 21 cited

PyQMC: an all-Python real-space quantum Monte Carlo module in PySCF

William A. Wheeler, Shivesh Pathak, Kevin Kleiner +11

We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern…

cond-mat.mtrl-sci2022★ 2 cited

Multiscale mechanics of thermal gradient coupled graphene fracture: A molecular dynamics study

Hanfeng Zhai, Jingjie Yeo

The thermo-mechanical coupling mechanism of graphene fracture under thermal gradients possesses rich applications whereas is hard to study due to its coupled non-equilibrium nature…

cond-mat.mtrl-sci2022★ 42 cited

Strong variation of spin-orbit torques with relative spin relaxation rates in ferrimagnets

Lijun Zhu, Daniel C Ralph

Spin-orbit torques (SOTs) have been widely understood as an interfacial transfer of spin that is independent of the bulk properties of the magnetic layer. Here, we report that SOTs…

cond-mat.mtrl-sci2022★ 45 cited

Controlled Ordering of Room-Temperature Magnetic Skyrmions in a Polar Van der Waals Magnet

Peter Meisenheimer, Hongrui Zhang, David Raftrey +10

Control and understanding of ensembles of skyrmions is important for realization of future technologies. In particular, the order-disorder transition associated with the 2D lattice…

cond-mat.mtrl-sci2022★ 17 cited

Domain-dependent surface adhesion in twisted few-layer graphene: Platform for moiré-assisted chemistry

Valerie Hsieh, Dorri Halbertal, Nathan R. Finney +13

Twisted van der Waals multilayers are widely regarded as a rich platform to access novel electronic phases, thanks to the multiple degrees of freedom such as layer thickness and tw…

cond-mat.mtrl-sci2022★ 14 cited

Atomic-scale mapping and quantification of local Ruddlesden-Popper phase variations

Erin E. Fleck, Berit H. Goodge, Matthew R. Barone +5

The Ruddlesden-Popper () compounds are a highly tunable class of materials whose functional properties can be dramatically impacted by their structural…

cond-mat.mtrl-sci2022★ 56 cited

Real-time 3D analysis during electron tomography using tomviz

Jonathan Schwartz, Chris Harris, Jacob Pietryga +13

The demand for high-throughput electron tomography is rapidly increasing in biological and material sciences. However, this 3D imaging technique is computationally bottlenecked by…

cond-mat.mtrl-sci2022★ 11 cited

High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach

Hsin-Yu Ko, Marcos F. Calegari Andrade, Zachary M. Sparrow +2

High-throughput DFT calculations are key to screening existing/novel materials, sampling potential energy surfaces, and generating quantum mechanical data for machine learning. By…

cond-mat.mtrl-sci2022

High Mobility Two-Dimensional Electron Gas at the BaSnO/SrNbO Interface

Sharad Mahatara, Suresh Thapa, Hanjong Paik +2

Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO (BSO). ACBN0 computa…

cond-mat.mtrl-sci2022★ 22 cited

Molecular Beam Homoepitaxy of N-polar AlN on bulk AlN substrates

Jashan Singhal, Jimy Encomendero, Yongjin Cho +6

N-polar AlN epilayers were grown on the N-face of single crystal bulk AlN substrates by plasma assisted molecular beam epitaxy (PA-MBE). A combination of in situ thermal deoxidatio…

cond-mat.mtrl-sci2022★ 12 cited

Decoherence by Optical Phonons in GaN Defect Single-Photon Emitters

Yifei Geng, Jialun Luo, Len van Deurzen +5

In most single-photon defect emitters, such as those in SiC and diamond, interaction with low-energy acoustic phonons determines the temperature dependence of the decoherence rate…

cond-mat.mtrl-sci2022★ 2 cited

Anisotropic Gigahertz Antiferromagnetic Resonances of the Easy-Axis van der Waals Antiferromagnet CrSBr

Thow Min Jerald Cham, Saba Karimeddiny, Avalon H. Dismukes +3

We report measurements of antiferromagnetic resonances in the van der Waals easy-axis antiferromagnet CrSBr. The interlayer exchange field and magnetocrystalline anisotropy fields…

cond-mat.mtrl-sci2022★ 98 cited

Piezomagnetic switching of anomalous Hall effect in an antiferromagnet at room temperature

M. Ikhlas, S. Dasgupta, F. Theuss +6

Piezomagnetism couples strain linearly to magnetic order producing magnetization. Thus, unlike magnetostriction, it enables bidirectional control of a net magnetic moment. If this…

cond-mat.mtrl-sci2022★ 4 cited

Ab initio study of the crystal and electronic structure of mono- and bi-alkali antimonides: Stability, Goldschmidt-like tolerance factors, and optical properties

J. K. Nangoi, M. Gaowei, A. Galdi +4

Mono- and bi-alkali antimonides, XYSb (X and Y from Group I), are promising for next-generation electron emitters due to their capability of producing high-quality electron bea…

cond-mat.mtrl-sci2022★ 32 cited

Synthesis and electronic properties of NdNiO Ruddlesden-Popper nickelate thin films

Grace A. Pan, Qi Song, Dan Ferenc Segedin +14

The rare-earth nickelates possess a diverse set of collective phenomena including metal-to-insulator transitions, magnetic phase transitions, and, upon chemical reduction, supercon…

cond-mat.mtrl-sci2022★ 11 cited

N-polar GaN p-n junction diodes with low ideality factors

Kazuki Nomoto, Huili Grace Xing, Debdeep Jena +1

High-quality N-polar GaN p-n diodes are realized on single-crystal N-polar GaN bulk substrate by plasma-assisted molecular beam epitaxy. The room-temperature current-voltage charac…

cond-mat.mtrl-sci2022★ 15 cited

Mapping Thermoelectric Transport in a Multicomponent Alloy Space

Ramya Gurunathan, Suchismita Sarker, Christopher K. H. Borg +4

Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity through large compositional disorder. However, h…

cond-mat.mtrl-sci2022★ 12 cited

A puzzling insensitivity of magnon spin diffusion to the presence of 180 domain walls in a ferrimagnetic insulator

Ruofan Li, Lauren J. Riddiford, Yahong Chai +12

We present room-temperature measurements of magnon spin diffusion in epitaxial ferrimagnetic insulator MgAlFeO (MAFO) thin films near zero applied magnetic fi…

cond-mat.mtrl-sci2022★ 61 cited

Frustrated magnetic interactions in a Wigner-Mott insulator

Yanhao Tang, Kaixiang Su, Lizhong Li +9

Two-dimensional semiconductor moiré materials have emerged as a highly controllable platform to simulate and explore quantum condensed matter. Compared to real solids, electrons in…

cond-mat.mtrl-sci2022★ 65 cited

Learning hyperelastic anisotropy from data via a tensor basis neural network

Jan N. Fuhg, Nikolaos Bouklas, Reese E. Jones

Anisotropy in the mechanical response of materials with microstructure is common and yet is difficult to assess and model. To construct accurate response models given only stress-s…

cond-mat.mtrl-sci2022★ 54 cited

Giant bulk spin-orbit torque and efficient electrical switching in single ferrimagnetic FeTb layers with strong perpendicular magnetic anisotropy

Qianbiao Liu, Lijun Zhu, Xiyue S. Zhang +2

Efficient manipulation of antiferromagnetically coupled materials that are integration-friendly and have strong perpendicular magnetic anisotropy (PMA) is of great interest for low…

cond-mat.mtrl-sci2022★ 8 cited

X-ray Nano-imaging of Defects in Thin Film Catalysts via Cluster Analysis

Aileen Luo, Oleg Yu. Gorobtsov, Jocienne N. Nelson +9

Functional properties of transition-metal oxides strongly depend on crystallographic defects. In transition-metal-oxide electrocatalysts such as SrIrO3 (SIO), crystallographic latt…

cond-mat.mtrl-sci2022★ 85 cited

Pervasive beyond room-temperature ferromagnetism in a doped van der Waals magnet: Ni doped FeGeTe with up to 478 K

Xiang Chen, Yu-Tsun Shao, Rui Chen +10

The existence of long range magnetic order in low dimensional magnetic systems, such as the quasi-two-dimensional (2D) van der Waals (vdW) magnets, has attracted intensive studies…