Generalized Gradient Approximation Made Simple
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October 1996 |
Projector augmented-wave method
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December 1994 |
Zr 2 Si: an antiferromagnetic Dirac MXene
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January 2018 |
First-principles design of spintronics materials
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April 2016 |
MXene: an emerging two-dimensional material for future energy conversion and storage applications
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January 2017 |
Topological nodal-line semimetals in ferromagnetic rare-earth-metal monohalides
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January 2019 |
Valley-dependent topological phase transition and quantum anomalous valley Hall effect in single-layer RuClBr
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May 2022 |
2D materials: to graphene and beyond
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January 2011 |
Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment
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November 2015 |
Theoretical study on Si-doped hexagonal boron nitride ( h -BN) sheet: Electronic, magnetic properties, and reactivity
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August 2014 |
Extracting versus effective band structure from supercell calculations on alloys and impurities
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February 2012 |
Tunable Magnetism and Transport Properties in Nitride MXenes
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June 2017 |
Spin Polarization of Gapped Dirac Surface States Near the Topological Phase Transition in
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November 2012 |
Hybrid density functional study of structural and electronic properties of functionalized Ti ( , N) monolayers
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June 2013 |
Alkylammonium Cation Intercalation into Ti 3 C 2 (MXene): Effects on Properties and Ion-Exchange Capacity Estimation
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January 2017 |
Energy levels and symmetry of Ce3+ in fluoride and oxide crystals
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November 1998 |
Functional MXene Materials: Progress of Their Applications
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August 2018 |
Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage
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December 2018 |
Energy-Dependent Chirality Effects in Quasifree-Standing Graphene
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March 2017 |
Two-dimensional transition metal carbides and nitrides (MXenes) for biomedical applications
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January 2018 |
Nitrogen-doped Nb2CTx MXene as anode materials for lithium ion batteries
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July 2019 |
Optical Emission in Hexagonal SiGe Nanowires
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July 2017 |
Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides
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August 2014 |
First principle calculations of the electronic properties of nitrogen-doped carbon nanoribbons with zigzag edges
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March 2008 |
MXene: An emerging material for sensing and biosensing
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June 2018 |
Fully relativistic pseudopotential formalism under an atomic orbital basis: spin–orbit splittings and magnetic anisotropies
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January 2012 |
Half-metallic ferromagnets: From band structure to many-body effects
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April 2008 |
Control of MXenes’ electronic properties through termination and intercalation
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January 2019 |
Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit
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June 2010 |
Honeycomb Carbon: A Review of Graphene
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January 2010 |
Electronic structure and chemical bonding inTi2AlCinvestigated by soft x-ray emission spectroscopy
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November 2006 |
Electronic and Optical Properties of 2D Transition Metal Carbides and Nitrides (MXenes)
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November 2018 |
Origin of band inversion in topological Bi2Se3
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September 2020 |
Large-Gap Quantum Spin Hall State in MXenes: d -Band Topological Order in a Triangular Lattice
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September 2016 |
Strain-tunable electronic properties and lithium storage of 2D transition metal carbide (MXene) Ti 2 CO 2 as a flexible electrode
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January 2020 |
Unfolding First-Principles Band Structures
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May 2010 |
Q uantum ESPRESSO toward the exascale
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April 2020 |
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
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July 2008 |
Two dimensional Dirac carbon allotropes from graphene
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January 2014 |
Synthesis, structure, properties and applications of MXenes: Current status and perspectives
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October 2019 |
Superior structural, elastic and electronic properties of 2D titanium nitride MXenes over carbide MXenes: a comprehensive first principles study
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July 2018 |
Strain-induced effects on the electronic properties of 2D materials
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January 2020 |
Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects
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June 2020 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
All Pseudocapacitive MXene-RuO 2 Asymmetric Supercapacitors
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January 2018 |
Experimental observation of the quantum Hall effect and Berry's phase in graphene
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November 2005 |
Effects of point defects on the magnetoelectronic structures of MXenes from first principles
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January 2018 |
Synthesis of two-dimensional titanium nitride Ti 4 N 3 (MXene)
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January 2016 |
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
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December 2015 |
Metamagnetic transition, magnetocaloric effect and electronic structure of the rare-earth anti-perovskite SnOEu3
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May 2020 |
Recent Advances in Ultrathin Two-Dimensional Nanomaterials
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March 2017 |
Origin of the half-metallic band-gap in newly designed quaternary Heusler compounds ZrVTiZ (Z = Al, Ga)
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January 2016 |
Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2
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August 2011 |
Electric Field Effect in Atomically Thin Carbon Films
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October 2004 |
Two-Dimensional Titanium Nitride (Ti 2 N) MXene: Synthesis, Characterization, and Potential Application as Surface-Enhanced Raman Scattering Substrate
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September 2017 |
Aperiodic quantum oscillations of particle-hole asymmetric Dirac cones
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September 2017 |
Electronic structure and bonding properties of layered machinable and ceramics
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May 2000 |
Magnetic i-MXenes: a new class of multifunctional two-dimensional materials
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January 2020 |
Magnetic and noncentrosymmetric Weyl fermion semimetals in the family of compounds ( )
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January 2018 |
25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
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December 2013 |
Atomic Defects in Monolayer Titanium Carbide (Ti 3 C 2 T x ) MXene
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September 2016 |
Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding
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January 2014 |
Multilayered stable 2D nano-sheets of Ti2NTx MXene: synthesis, characterization, and anticancer activity
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November 2019 |
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
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September 2013 |
Strong topological metal material with multiple Dirac cones
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January 2016 |
First-Principles Calculations of Ti 2 N and Ti 2 NT 2 (T = O, F, OH) Monolayers as Potential Anode Materials for Lithium-Ion Batteries and Beyond
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June 2017 |
A relativistic density functional formalism
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August 1979 |
Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones
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February 2012 |
Effects of Carrier Doping on the Transport in the Dirac Electron System α-(BEDT-TTF)2I3 under High Pressure
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March 2018 |
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
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January 2006 |
Full-potential electronic structure ofTi2AlCandTi2AlN
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February 2002 |
Topological insulators in the ordered double transition metals MXenes ( , W; , Zr, Hf)
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September 2016 |
A Robust, Freestanding MXene‐Sulfur Conductive Paper for Long‐Lifetime Li–S Batteries
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May 2019 |
Projector augmented wave method with spin-orbit coupling: Applications to simple solids and zincblende-type semiconductors
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August 2012 |
Band-gap engineering by Bi intercalation of graphene on Ir(111)
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April 2016 |
Manipulating the mechanical properties of MXene: Effect of substitutional doping
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May 2017 |
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
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April 2013 |
Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides
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December 2012 |
Elastic and Mechanical Properties of the MAX Phases
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August 2011 |
Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides
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October 2015 |
2D metal carbides and nitrides (MXenes) for energy storage
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January 2017 |
Controlling magnetic order, magnetic anisotropy, and band topology in the semimetals
Sr(Mn0.9Cu0.1)Sb2
and
Sr(Mn0.9Zn0.1)Sb2
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August 2020 |
Spin-Orbit-Parity-Coupled Superconductivity in Topological Monolayer
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September 2020 |
Effect of Amidogen Functionalization on Quantum Spin Hall Effect in Bi/Sb(111) Films
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November 2017 |
Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces
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March 2016 |
Quantum spin Hall state in monolayer 1T'-WTe2
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June 2017 |