4.7 Article

High-Throughput Screening of Strong Electron-Phonon Couplings in Ternary Metal Diborides

Related references

Note: Only part of the references are listed.
Article Multidisciplinary Sciences

Creating superconductivity in WB2 through pressure-induced metastable planar defects

J. Lim et al.

Summary: High-pressure electrical resistivity measurements and theoretical calculations reveal that superconductivity can be induced in ultra-hard WB2 during compression, originating from the formation of metastable stacking faults and twin boundaries. The appearance of superconductivity is not accompanied by a structural transition, but instead correlated with the formation and percolation of mechanically-induced stacking faults and twin boundaries, as confirmed by synchrotron x-ray diffraction measurements.

NATURE COMMUNICATIONS (2022)

Article Materials Science, Multidisciplinary

Electron-phonon coupling strength from ab initio frozen-phonon approach

Yang Sun et al.

Summary: We propose a fast method for high-throughput screening of potential superconducting materials based on calculating metallic screening of the zone-center phonon modes. This method can provide an accurate estimate for the electron-phonon coupling strength and can be used alongside the existing RMT method for initial screening of conventional superconductors via machine learning or data mining.

PHYSICAL REVIEW MATERIALS (2022)

Article Chemistry, Physical

Effects of graphene nanoplatelets and hexagonal boron nitride on spark plasma sintered (Zr,Nb)B2 solid solutions

Melis Kaplan Akarsu et al.

Summary: By adding graphene nanoplatelets and hexagonal boron nitride to the (Zr,Nb)B-2 solid solution, different properties of the solid solution were modified, such as increased relative density, improved hardness, and enhanced toughness. These additives contributed to the enhancement of the solid solution's performance by activating toughening mechanisms.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Article Chemistry, Multidisciplinary

Topochemical Deintercalation of Li from Layered LiNiB: toward 2D MBene

Gourab Bhaskar et al.

Summary: The research demonstrates that deintercalation of Li from the layered compound LiNiB can be achieved through a specific method, resulting in the formation of unique metastable borides with a novel structure such as Li around 0.5NiB. The deintercalation of Li proceeds via a zip-lock mechanism, leading to the formation of Li similar to 0.5NiB with a complex crystal structure. The formation of double or triple [NiB] layers in Li similar to 0.5NiB induces a change in magnetic behavior from temperature-independent paramagnets to spin-glassiness.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

Article Chemistry, Physical

Quantum ESPRESSO toward the exascale

Paolo Giannozzi et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Materials Science, Multidisciplinary

Signatures of nonadiabatic superconductivity in lithium-decorated graphene

Dominik Szczesniak et al.

PHYSICAL REVIEW B (2019)

Article Chemistry, Multidisciplinary

Redox-Mediated Stabilization in Zinc Molybdenum Nitrides

Elisabetta Arca et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (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, Physical

Design of Metastable Tin Titanium Nitride Semiconductor Alloys

Andre Bikowski et al.

CHEMISTRY OF MATERIALS (2017)

Article Materials Science, Multidisciplinary

Phonon dispersion anomalies and superconductiVity in metal substituted MgB2

Ian D. R. Mackinnon et al.

COMPUTATIONAL MATERIALS SCIENCE (2017)

Article Chemistry, Physical

Phonon anomalies predict superconducting Tc for AlB2-type structures

Jose A. Alarco et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Nanoscience & Nanotechnology

First principles phonon calculations in materials science

Atsushi Togo et al.

SCRIPTA MATERIALIA (2015)

Article Materials Science, Multidisciplinary

Pseudopotentials for high-throughput DFT calculations

Kevin F. Garrity et al.

COMPUTATIONAL MATERIALS SCIENCE (2014)

Article Physics, Condensed Matter

An adaptive genetic algorithm for crystal structure prediction

S. Q. Wu et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2014)

Article Physics, Multidisciplinary

Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm

X. Zhao et al.

PHYSICAL REVIEW LETTERS (2014)

Article Materials Science, Multidisciplinary

Anisotropic Migdal-Eliashberg theory using Wannier functions

E. R. Margine et al.

PHYSICAL REVIEW B (2013)

Article Nanoscience & Nanotechnology

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain et al.

APL MATERIALS (2013)

Article Materials Science, Multidisciplinary

Crystal structure prediction via particle-swarm optimization

Yanchao Wang et al.

PHYSICAL REVIEW B (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

Prediction of superconducting properties of CaB2 using anisotropic Eliashberg theory

Hyoung Joon Choi et al.

PHYSICAL REVIEW B (2009)

Article Physics, Applied

Investigation of Li-doped MgB2

I. Pallecchi et al.

SUPERCONDUCTOR SCIENCE & TECHNOLOGY (2009)

Article Materials Science, Multidisciplinary

Doping in MgB2 superconductors using a high-pressure furnace

B. W. Lee et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2008)

Article Materials Science, Multidisciplinary

MgB2 single crystals substituted with Li and with Li-C:: Structural and superconducting properties

J. Karpinski et al.

PHYSICAL REVIEW B (2008)

Review Physics, Applied

Single crystals of MgB2:: Synthesis, substitutions and properties

J. Karpinski et al.

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS (2007)

Article Chemistry, Physical

Crystal structure prediction using ab initio evolutionary techniques:: Principles and applications

Artem R. Oganov et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Materials Science, Multidisciplinary

Superconductivity in dense Mg1-xMxB2 (M =Zr, Nb, Mo; x=0.05) materials sintered under pressure

S Kalavathi et al.

BULLETIN OF MATERIALS SCIENCE (2005)

Article Materials Science, Multidisciplinary

Substitution of Sc for Mg in MgB2:: Effects on transition temperature and Kohn anomaly -: art. no. 134514

S Agrestini et al.

PHYSICAL REVIEW B (2004)

Article Physics, Applied

Electronic structure, electron-phonon coupling, and multiband effects in MgB2

II Mazin et al.

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS (2003)

Article Physics, Applied

The substitutional chemistry of MgB2

RJ Cava et al.

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS (2003)

Article Physics, Applied

High-pressure synthesis of pure and doped superconducting MgB2 compounds

P Toulemonde et al.

SUPERCONDUCTOR SCIENCE & TECHNOLOGY (2003)

Article Materials Science, Multidisciplinary

Theoretical study of superconductivity in MgB2 and its alloys

PP Singh

BULLETIN OF MATERIALS SCIENCE (2003)

Article Physics, Applied

Enhanced flux pinning in Zr-doped MgB2 bulk superconductors prepared at ambient pressure

Y Feng et al.

JOURNAL OF APPLIED PHYSICS (2002)

Article Physics, Multidisciplinary

High Tc superconductivity in MgB2 by nonadiabatic pairing -: art. no. 117003

E Cappelluti et al.

PHYSICAL REVIEW LETTERS (2002)

Article Physics, Applied

Nonadiabatic polaronic superconductivity in MgB2 and cuprates

AS Alexandrov

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS (2001)

Review Physics, Applied

Review of the superconducting properties of MgB2

C Buzea et al.

SUPERCONDUCTOR SCIENCE & TECHNOLOGY (2001)

Article Materials Science, Multidisciplinary

Electronic structure and weak electron-phonon coupling in TaB2 -: art. no. 144516

H Rosner et al.

PHYSICAL REVIEW B (2001)

Article Materials Science, Multidisciplinary

Coexistence of covalent and metallic bonding in the boron intercalation superconductor MgB2 -: art. no. 092503

KD Belashchenko et al.

PHYSICAL REVIEW B (2001)

Article Materials Science, Multidisciplinary

Electron-phonon interaction in the normal and superconducting states of MgB2 -: art. no. 020501

Y Kong et al.

PHYSICAL REVIEW B (2001)

Article Physics, Multidisciplinary

Superconductivity of metallic boron in MgB2

J Kortus et al.

PHYSICAL REVIEW LETTERS (2001)

Article Physics, Multidisciplinary

Superconductivity of MgB2:: Covalent bonds driven metallic

JM An et al.

PHYSICAL REVIEW LETTERS (2001)

Review Physics, Multidisciplinary

Phonons and related crystal properties from density-functional perturbation theory

S Baroni et al.

REVIEWS OF MODERN PHYSICS (2001)

Article Multidisciplinary Sciences

Superconductivity at 39 K in magnesium diboride

J Nagamatsu et al.

NATURE (2001)

Article Physics, Multidisciplinary

Electron transport in diborides: Observation of superconductivity in ZrB2

VA Gasparov et al.

JETP LETTERS (2001)