Short time dynamics determine glass forming ability in a glass transition two-level model: A stochastic approach using Kramers’ escape formula
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March 2017 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Layer-dependent properties of and two-dimensional materials
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September 2016 |
Van der Waals density functionals applied to solids
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May 2011 |
Characteristics of layered tin disulfide deposited by atomic layer deposition with H 2 S annealing
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April 2017 |
Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS
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October 2015 |
Evolution of elastic moduli through a two-dimensional structural transformation
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March 2019 |
Two new phases of monolayer group-IV monochalcogenides and their piezoelectric properties
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January 2016 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Microscopic Mechanism of the Helix-to-Layer Transformation in Elemental Group VI Solids
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July 2018 |
Chemical accuracy for the van der Waals density functional
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December 2009 |
Quantum and thermal effects in dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems
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February 1994 |
Theory of finite-temperature two-dimensional structural transformations in group-IV monochalcogenide monolayers
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May 2020 |
Discovery of robust in-plane ferroelectricity in atomic-thick SnTe
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July 2016 |
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
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September 2018 |
Optoelectronic properties of single-layer, double-layer, and bulk tin sulfide: A theoretical study
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June 2013 |
Enhanced photocatalytic activity for water splitting of blue-phase GeS and GeSe monolayers via biaxial straining
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January 2019 |
Interpretation of van der Waals density functionals
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August 2014 |
Group-IV monochalcogenide monolayers: Two-dimensional ferroelectrics with weak intralayer bonds and a phosphorenelike monolayer dissociation energy
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December 2019 |
Microscopic Manipulation of Ferroelectric Domains in SnSe Monolayers at Room Temperature
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August 2020 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Unified Approach for Molecular Dynamics and Density-Functional Theory
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November 1985 |
van der Waals forces in density functional theory: a review of the vdW-DF method
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May 2015 |
Dipolar polarization and piezoelectricity of a hexagonal boron nitride sheet decorated with hydrogen and fluorine
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January 2014 |
Tin Disulfide—An Emerging Layered Metal Dichalcogenide Semiconductor: Materials Properties and Device Characteristics
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September 2014 |
Directional anisotropy, finite size effect and elastic properties of hexagonal boron nitride
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June 2016 |
Two-Dimensional Disorder in Black Phosphorus and Monochalcogenide Monolayers
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February 2016 |
The crystal structure of IV-VI compounds. I. Classification and description
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September 1980 |
Freestanding crystalline oxide perovskites down to the monolayer limit
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June 2019 |
Piezoelectricity in Monolayer Hexagonal Boron Nitride
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November 2019 |
Computational prediction of two-dimensional group-IV mono-chalcogenides
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July 2014 |
Large‐Scale Growth and Field‐Effect Transistors Electrical Engineering of Atomic‐Layer SnS 2
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October 2019 |
Physical Properties of Carbon Nanotubes
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January 1998 |
Intrinsic Piezoelectricity in Two-Dimensional Materials
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September 2012 |
Microscopic Theory of Force Constants in the Adiabatic Approximation
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January 1970 |
Influence of the exchange screening parameter on the performance of screened hybrid functionals
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December 2006 |
Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics
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October 2014 |
Higher-accuracy van der Waals density functional
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August 2010 |
Chiral twisted van der Waals nanowires
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April 2019 |
Purely in-plane ferroelectricity in monolayer SnS at room temperature
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May 2020 |
The SIESTA method for ab initio order- N materials simulation
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March 2002 |
The germanium telluride monolayer: a two dimensional semiconductor with high carrier mobility for photocatalytic water splitting
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January 2018 |
Two-Dimensional SiS Layers with Promising Electronic and Optoelectronic Properties: Theoretical Prediction
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January 2016 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
First principles phonon calculations in materials science
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November 2015 |
Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium
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June 2009 |
Reaction-rate theory: fifty years after Kramers
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April 1990 |
Stability and properties of high-buckled two-dimensional tin and lead
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December 2014 |
Large-Gap Quantum Spin Hall Insulators in Tin Films
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September 2013 |
Valley physics in tin (II) sulfide
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January 2016 |
Systematic pseudopotentials from reference eigenvalue sets for DFT calculations
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February 2015 |
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
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August 2009 |
Semiconducting Layered Blue Phosphorus: A Computational Study
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May 2014 |
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
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February 2018 |
Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers
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January 2018 |
Structural Phase Transition and Material Properties of Few-Layer Monochalcogenides
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December 2016 |
Two-dimensional germanium monochalcogenide photocatalyst for water splitting under ultraviolet, visible to near-infrared light
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January 2017 |
Numerical atomic orbitals for linear-scaling calculations
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November 2001 |
CEO Communication and Reputation in the Czech Republic: An Inspiration for Czech SMEs
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February 2015 |