From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Recent progress of nanomaterials for microwave absorption

M Green, X Chen - Journal of Materiomics, 2019 - Elsevier
Microwave absorbing materials have received considerable interest over the years for their
applications in stealth, communications, and information processing technologies. These …

Current progress and future challenges in rare-earth-free permanent magnets

J Cui, M Kramer, L Zhou, F Liu, A Gabay… - Acta Materialia, 2018 - Elsevier
Permanent magnets (PM) are critical components for electric motors and power generators.
Key properties of permanent magnets, especially coercivity and remanent magnetization …

MXene/FeCo films with distinct and tunable electromagnetic wave absorption by morphology control and magnetic anisotropy

X Li, C Wen, L Yang, R Zhang, X Li, Y Li, R Che - Carbon, 2021 - Elsevier
MXene, an emerging two-dimensional (2D) material, is widely used as a microwave
absorber to defense the electromagnetic pollution in the high-frequency communication …

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet

HL Zhuang, PRC Kent, RG Hennig - Physical Review B, 2016 - APS
Computationally characterizing magnetic properies of novel two-dimensional (2D) materials
serves as an important first step of exploring possible applications. Using density-functional …

Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered alloys

S Steiner, S Khmelevskyi, M Marsmann, G Kresse - Physical review B, 2016 - APS
The magnetic anisotropy energy of tetragonally distorted disordered alloys Fe 1− x Co x is
calculated by two different virtual crystal approximation methods and an averaged supercell …

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

AG Kusne, T Gao, A Mehta, L Ke, MC Nguyen, KM Ho… - Scientific reports, 2014 - nature.com
Advanced materials characterization techniques with ever-growing data acquisition speed
and storage capabilities represent a challenge in modern materials science and new …

Long-Lived Ultrafast Spin Precession in Manganese Alloys Films with a Large<? format?> Perpendicular Magnetic Anisotropy

S Mizukami, F Wu, A Sakuma, J Walowski… - Physical review …, 2011 - APS
Spin precession with frequencies up to 280 GHz is observed in Mn 3-δ Ga alloy films with a
perpendicular magnetic anisotropy constant K u∼ 15 M erg/cm 3. The damping constant α …

Toward computational materials design: the impact of density functional theory on materials research

J Hafner, C Wolverton, G Ceder - MRS bulletin, 2006 - cambridge.org
The development of modern materials science has led to a growing need to understand the
phenomena determining the properties of materials and processes on an atomistic level …

Magnetic and structural properties of isolated and assembled clusters

J Bansmann, SH Baker, C Binns, JA Blackman… - Surface Science …, 2005 - Elsevier
Within the last years, a fundamental understanding of nanoscaled materials has become a
tremendous challenge for any technical applications. For magnetic nanoparticles, the …