4.5 Article

Efficient discovery of room temperature magnetic transition metal monolayers assisted by artificial neural network

Related references

Note: Only part of the references are listed.
Article Nanoscience & Nanotechnology

Machine Learning Study of the Magnetic Ordering in 2D Materials

Carlos Mera Acosta et al.

Summary: Magnetic materials have a wide range of applications in technology, and the development of 2D materials has opened up new possibilities for studying magnetic compounds. Machine learning methods can be used to predict and understand magnetic ordering in 2D materials more effectively.

ACS APPLIED MATERIALS & INTERFACES (2022)

Review Chemistry, Multidisciplinary

Data-Driven Materials Innovation and Applications

Zhuo Wang et al.

Summary: This article discusses the latest developments in data-driven scientific research in the field of materials science, focusing on frameworks, algorithms, databases, descriptors, and their applications in various areas. It emphasizes the opportunities and challenges in data-driven material innovation.

ADVANCED MATERIALS (2022)

Article Materials Science, Multidisciplinary

Hubbard U parameters for transition metals from first principles

Rebekka Tesch et al.

Summary: In this study, the Hubbard U parameters for transition metals were systematically calculated using different methods, and it was found that using a more realistic projection method produced results that were more in line with experimental data and consistent with other approaches.

PHYSICAL REVIEW B (2022)

Article Chemistry, Physical

Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials

Yiqi Xie et al.

Summary: In this study, first-principles calculations and machine learning are used to investigate the magnetocrystalline anisotropy of two-dimensional materials, revealing the crucial role of hybridization in determining magnetic anisotropy. Additionally, a high-throughput computational approach is proposed for targeted design of quantum materials with potential applications in a variety of fields.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)

Review Chemistry, Multidisciplinary

Recent Advances in 2D Superconductors

Dong Qiu et al.

Summary: The emergence of superconductivity in 2D materials has attracted attention due to their unique physical properties. Researchers have made efforts to explore mechanisms behind the unexpected superconductivity phenomena by adjusting different physical parameters. Different types of 2D superconductivity are introduced in the article, along with a perspective towards the future of this field.

ADVANCED MATERIALS (2021)

Article Materials Science, Multidisciplinary

Role of charge doping and strain in the stabilization of in-plane ferromagnetism in monolayer VSe2 at room temperature

S. Memarzadeh et al.

Summary: The study focuses on the origin of in-plane ferromagnetism in monolayer VSe2, showing a transition to a ferromagnetic state under moderate charge doping and revealing long-range magnetic order above 300 K. This suggests the possibility of controllable manipulation of magnetic properties in experimentally available samples.

2D MATERIALS (2021)

Article Nanoscience & Nanotechnology

Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers

Sabyasachi Tiwari et al.

Summary: Using first-principles calculations, the magnetic order in 2D TMD monolayers doped with transition metals was investigated, revealing five distinct magnetically ordered states among 35 TMD-dopant pairs. Different dopants result in different magnetic states, with Ni and Ti leading to non-magnetic states, Cr leading to antiferromagnetic states, and Fe, Mn, Co, and V leading to ferromagnetic states for most TMDs except MoTe2. V-doped MoSe2 and WSe2, and Mn-doped MoS2 were identified as the most suitable candidates for achieving room-temperature ferromagnetism at 16-18% atomic substitution.

NPJ 2D MATERIALS AND APPLICATIONS (2021)

Review Physics, Applied

Recent progress on 2D magnets: Fundamental mechanism, structural design and modification

Xue Jiang et al.

Summary: This review summarizes the recent progress on 2D magnets, focusing on magnetic exchange interaction, databases, and modification strategies. It presents various types of 2D magnetic materials and their interaction mechanisms.

APPLIED PHYSICS REVIEWS (2021)

Article Physics, Multidisciplinary

Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy

Sabyasachi Tiwari et al.

Summary: This study compared three first-principles methods for calculating the Curie temperature in 2D ferromagnetic materials, finding discrepancies in results based on the level of exchange anisotropy. A simple formula was proposed for estimating the Curie temperature with high accuracy, and several high Curie temperature 2D ferromagnets were identified. Experimental comparison demonstrated the preference for Green's-function-based equations for small anisotropies and MC-based results for larger anisotropies.

PHYSICAL REVIEW RESEARCH (2021)

Article Materials Science, Multidisciplinary

Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling

C. Bacaksiz et al.

Summary: Significant differences in magnetic anisotropy, Curie temperature, hysteresis in an external magnetic field, and evolution of magnetism with strain were found between the CrI3 and CrBr3 magnetic monolayers, predominantly attributed to a distinctly different interplay of atomic contributions to spin-orbit coupling in the two materials.

PHYSICAL REVIEW B (2021)

Article Chemistry, Multidisciplinary

Machine learning and artificial neural network accelerated computational discoveries in materials science

Yang Hong et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2020)

Article Chemistry, Multidisciplinary

Solution Synthesis of Layered van der Waals (vdW) Ferromagnetic CrGeTe3 Nanosheets from a Non-vdW Cr2Te3 Template

Huan Yang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Materials Science, Multidisciplinary

Electret formation in transition metal oxides by electrochemical amorphization

Yong-Jin Kim et al.

NPG ASIA MATERIALS (2020)

Article Chemistry, Physical

Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices

Anthony Yu-Tung Wang et al.

CHEMISTRY OF MATERIALS (2020)

Article Materials Science, Multidisciplinary

Orbitally-resolved ferromagnetism of monolayer CrI3

I. Kashin et al.

2D MATERIALS (2020)

Article Chemistry, Physical

Atomically Thin 1T-FeCl2 Grown by Molecular-Beam Epitaxy

Xuhan Zhou et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Physical

Discovery of Novel Two-Dimensional Photovoltaic Materials Accelerated by Machine Learning

Hao Jin et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

Article Chemistry, Physical

High-throughput discovery of high Curie point two-dimensional ferromagnetic materials

Arnab Kabiraj et al.

NPJ COMPUTATIONAL MATERIALS (2020)

Review Chemistry, Multidisciplinary

Recent Advances in the Carrier Mobility of Two-Dimensional Materials: A Theoretical Perspective

Showkat Hassan Mir et al.

ACS OMEGA (2020)

Article Multidisciplinary Sciences

Data-driven studies of magnetic two-dimensional materials

Trevor David Rhone et al.

SCIENTIFIC REPORTS (2020)

Review Chemistry, Multidisciplinary

The Role of Machine Learning in the Understanding and Design of Materials

Seyed Mohamad Moosavi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Review Chemistry, Physical

Vanadium sulfide based materials: synthesis, energy storage and conversion

Yang-Yi Liu et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

Article Chemistry, Physical

Discovery of stable and intrinsic antiferromagnetic iron oxyhalide monolayers

Shiyao Wang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Multidisciplinary

FeCl2monolayer on HOPG: art of growth and momentum filtering effect

Shihao Cai et al.

NANOSCALE (2020)

Article Materials Science, Multidisciplinary

Two-dimensional chromium pnictides CrX (X =P, As, Sb): Half-metallic ferromagnets with high Curie temperature

A. Mogulkoc et al.

PHYSICAL REVIEW B (2020)

Article Chemistry, Physical

Defects engineering monolayer MoSe2 magnetic states for 2D spintronic device

Zhen Lin et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2019)

Article Physics, Applied

Piezo-phototronic solar cell based on 2D monochalcogenides materials

Gyan Michael et al.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2019)

Review Nanoscience & Nanotechnology

Magnetic 2D materials and heterostructures

M. Gibertini et al.

NATURE NANOTECHNOLOGY (2019)

Article Chemistry, Multidisciplinary

Chemically Exfoliated VSe2 Monolayers with Room-Temperature Ferromagnetism

Wei Yu et al.

ADVANCED MATERIALS (2019)

Article Chemistry, Physical

Reliable and explainable machine-learning methods for accelerated material discovery

Bhavya Kailkhura et al.

NPJ COMPUTATIONAL MATERIALS (2019)

Article Materials Science, Multidisciplinary

Theoretical investigation of the ferromagnetism on VS2 monolayers with exchange anisotropy

Ning-Ning Sun et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2019)

Article Ergonomics

A feature learning approach based on XGBoost for driving assessment and risk prediction

Xiupeng Shi et al.

ACCIDENT ANALYSIS AND PREVENTION (2019)

Article Chemistry, Physical

One-Pot Synthesis of Co-Doped VSe2 Nanosheets for Enhanced Hydrogen Evolution Reaction

Qing Zhu et al.

ACS APPLIED ENERGY MATERIALS (2019)

Article Chemistry, Physical

Strain-tunable magnetic and electronic properties of monolayer CrI3

Zewen Wu et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Article Chemistry, Multidisciplinary

Mechanical, Electronic, and Magnetic Properties of NiX2 (X = Cl, Br, I) Layers

Min Lu et al.

ACS OMEGA (2019)

Article Materials Science, Multidisciplinary

Spin Seebeck effect in the layered ferromagnetic insulators CrSiTe3 and CrGeTe3

Naohiro Ito et al.

PHYSICAL REVIEW B (2019)

Article Statistics & Probability

Multiple predicting K-fold cross-validation for model selection

Yoonsuh Jung

JOURNAL OF NONPARAMETRIC STATISTICS (2018)

Article Physics, Applied

Critical behavior of two-dimensional intrinsically ferromagnetic semiconductor CrI3

G. T. Lin et al.

APPLIED PHYSICS LETTERS (2018)

Article Materials Science, Multidisciplinary

Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity

Junjie He et al.

COMPUTATIONAL MATERIALS SCIENCE (2018)

Article Chemistry, Multidisciplinary

Room Temperature Intrinsic Ferromagnetism in Epitaxial Manganese Selenide Films in the Monolayer Limit

Dante J. O'Hara et al.

NANO LETTERS (2018)

Article Nanoscience & Nanotechnology

Controlling magnetism in 2D CrI3 by electrostatic doping

Shengwei Jiang et al.

NATURE NANOTECHNOLOGY (2018)

Article Nanoscience & Nanotechnology

Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates

Manuel Bonilla et al.

NATURE NANOTECHNOLOGY (2018)

Article Multidisciplinary Sciences

Predicting reaction performance in C-N cross-coupling using machine learning

Derek T. Ahneman et al.

SCIENCE (2018)

Article Multidisciplinary Sciences

Applying machine learning techniques to predict the properties of energetic materials

Daniel C. Elton et al.

SCIENTIFIC REPORTS (2018)

Article Materials Science, Multidisciplinary

Tuning electronic and magnetic properties of monolayer alpha-RuCl3 by in-plane strain

F. Iyikanat et al.

JOURNAL OF MATERIALS CHEMISTRY C (2018)

Review Multidisciplinary Sciences

Machine learning for molecular and materials science

Keith T. Butler et al.

NATURE (2018)

Article Multidisciplinary Sciences

Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

Shuaihua Lu et al.

NATURE COMMUNICATIONS (2018)

Article Nanoscience & Nanotechnology

Piezoelectricity and valley chern number in inhomogeneous hexagonal 2D crystals

Habib Rostami et al.

NPJ 2D MATERIALS AND APPLICATIONS (2018)

Article Materials Science, Multidisciplinary

Hubbard parameters from density-functional perturbation theory

Iurii Timrov et al.

PHYSICAL REVIEW B (2018)

Article Physics, Condensed Matter

Advanced capabilities for materials modelling with QUANTUM ESPRESSO

P. Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2017)

Article Chemistry, Applied

Neural-Network-Biased Genetic Algorithms for Materials Design: Evolutionary Algorithms That Learn

Tarak K. Patra et al.

ACS COMBINATORIAL SCIENCE (2017)

Article Materials Science, Multidisciplinary

Single-layer metal halides MX2 (X = Cl, Br, I): stability and tunable magnetism from first principles and Monte Carlo simulations

Vadym V. Kulish et al.

JOURNAL OF MATERIALS CHEMISTRY C (2017)

Article Multidisciplinary Sciences

Prediction of thermal boundary resistance by the machine learning method

Tianzhuo Zhan et al.

SCIENTIFIC REPORTS (2017)

Article Chemistry, Multidisciplinary

Quaternary 2D Transition Metal Dichalcogenides (TMDs) with Tunable Bandgap

Sandhya Susarla et al.

ADVANCED MATERIALS (2017)

Article Materials Science, Multidisciplinary

On the origin of magnetic anisotropy in two dimensional CrI3

J. L. Lado et al.

2D MATERIALS (2017)

Article Chemistry, Physical

How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

Fleur Legrain et al.

CHEMISTRY OF MATERIALS (2017)

Article Chemistry, Physical

High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds

Anton O. Oliynyk et al.

CHEMISTRY OF MATERIALS (2016)

Article Physics, Applied

Electronic and magnetic properties of monolayer MnS2

Yunliang Yue

MODERN PHYSICS LETTERS B (2016)

Review Chemistry, Multidisciplinary

Two-dimensional monolayer designs for spintronics applications

Xiuling Li et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2016)

Article Multidisciplinary Sciences

Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX2 (X = S, Se and Te)

Huei-Ru Fuh et al.

SCIENTIFIC REPORTS (2016)

Article Chemistry, Multidisciplinary

Learning from the Harvard Clean Energy Project: The Use of Neural Networks to Accelerate Materials Discovery

Edward O. Pyzer-Knapp et al.

ADVANCED FUNCTIONAL MATERIALS (2015)

Article Chemistry, Physical

Ferromagnetism in MnX2 ( X = S, Se) monolayers

Min Kan et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

The Intrinsic Ferromagnetism in a MnO2 Monolayer

M. Kan et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Review Chemistry, Multidisciplinary

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

Manish Chhowalla et al.

NATURE CHEMISTRY (2013)

Article Engineering, Manufacturing

Using support vector machine for materials design

Wen-Cong Lu et al.

ADVANCES IN MANUFACTURING (2013)

Article Chemistry, Physical

Strain-dependent electronic and magnetic properties of MoS2 monolayer, bilayer, nanoribbons and nanotubes

Peng Lu et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Review Chemistry, Multidisciplinary

2D materials: to graphene and beyond

Ruben Mas-Balleste et al.

NANOSCALE (2011)

Article Physics, Multidisciplinary

Dynamical Screening in Correlated Electron Materials

Philipp Werner et al.

PHYSICAL REVIEW LETTERS (2010)

Review Physics, Condensed Matter

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Materials Science, Multidisciplinary

Exchange interactions and critical temperature of bulk and thin films of MnSi: A density functional theory study

Mahboubeh Hortamani et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Restoring the density-gradient expansion for exchange in solids and surfaces

John P. Perdew et al.

PHYSICAL REVIEW LETTERS (2008)

Article Materials Science, Multidisciplinary

Magnetically induced dynamical stability of a Fe monolayer on W(110)

Jan Lazewski et al.

PHYSICAL REVIEW B (2007)

Article Physics, Condensed Matter

Calculations of magnetic transition temperatures of Gd-based compounds

J Rusz et al.

PHYSICA B-CONDENSED MATTER (2006)

Article Materials Science, Multidisciplinary

Linear response approach to the calculation of the effective interaction parameters in the LDA+U method

M Cococcioni et al.

PHYSICAL REVIEW B (2005)