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On the scaling factor in Debye–Grüneisen model: A case study of the Mg–Zn binary system
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February 2015 |
Poisson's ratio and modern materials
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October 2011 |
Metadata management for distributed first principles calculations in VLab—A collaborative cyberinfrastructure for materials computation
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February 2008 |
Ab initio thermal transport in compound semiconductors
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April 2013 |
Projector augmented-wave method
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December 1994 |
Bulk Modulus-Volume Relationship in Ternary Chalcopyrite Compounds
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August 1986 |
Elastic constants of PbSe
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August 1971 |
The elastic constants of cassiterite SnO 2 and their pressure and temperature dependence
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June 1975 |
Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods
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April 2010 |
Intrinsic phonon relaxation times from first-principles studies of the thermal conductivities of Si and Ge
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February 2010 |
The AFLOW Library of Crystallographic Prototypes: Part 1
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August 2017 |
High-Temperature Shear Modulus of Si3N4 and SiC
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January 1974 |
The Elastic Behaviour of a Crystalline Aggregate
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May 1952 |
Study of the Thermoelectric Properties of Lead Selenide Doped with Boron, Gallium, Indium, or Thallium
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October 2012 |
Lattice Thermal Conductivity of Mercury Selenide
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May 1973 |
Debye temperatures and cohesive properties
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August 1975 |
Grüneisen parameters of τ phonons in CdSiP2, CuAlS2 and CuGaS2
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January 1975 |
Thermal conductivity of SnO 2 single crystals
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September 1980 |
Sound Velocities and Elastic Moduli in CuInTe2 and CuInSe2
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November 1990 |
A RESTful API for exchanging materials data in the AFLOWLIB.org consortium
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October 2014 |
Guiding the experimental discovery of magnesium alloys
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August 2011 |
Elastic constants of the layered compounds Gas, GaSe, InSe, and their pressure dependence I. Experimental part
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September 1983 |
Elastic Constants of Mercury Selenide
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December 1969 |
High-throughput electronic band structure calculations: Challenges and tools
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August 2010 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Vibrational Spectroscopy of Aluminum Nitride
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May 1993 |
High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation
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December 2016 |
Phonon engineering through crystal chemistry
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January 2011 |
Necessary and sufficient elastic stability conditions in various crystal systems
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December 2014 |
GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
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March 2004 |
Universal compressibility behavior of dense phases
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January 1995 |
Hole contribution to the elastic constants of SnTe
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October 1976 |
Evaluation of the tantalum-titanium phase diagram from ab-initio calculations
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November 2016 |
Elastic constants and lattice anharmonicity of GaSb and GaP from ultrasonic-velocity measurements between 4.2 and 300 K
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April 1975 |
Phase transformation of AlAs to NiAs structure at high pressure
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March 1994 |
Elastic properties of oxides in the NaCl-structure
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January 1977 |
Elastic Moduli and Phonon Properties of
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April 1972 |
Temperature and pressure dependence of the crystal structure of InTe: A new high pressure phase of InTe
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January 1985 |
Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena. II. Irreversible Processes in Fluids
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March 1954 |
Thermal conductivity of diamond nanowires from first principles
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May 2012 |
Perspectives on thermoelectrics: from fundamentals to device applications
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January 2012 |
Ordered phases in ruthenium binary alloys from high-throughput first-principles calculations
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December 2011 |
Pressure dependences of the elastic constants of PbTe, SnTe and Ge 0.08 Sn 0.92 Te
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April 1981 |
Compression behavior of CdS and BP up to 68 GPa
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February 1983 |
Elastic constants of corundum up to 1825 K
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January 1989 |
Modeling the thermal conductivities of the zinc antimonides ZnSb and Zn Sb
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January 2014 |
Universal features of the equation of state of solids
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March 1989 |
Electronic Effects in the Elastic Constants of -Type Silicon
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September 1967 |
High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity
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March 2017 |
Thermal conductivities of some novel nonlinear optical materials
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January 1994 |
Dynamics of an Inhomogeneously Coarse Grained Multiscale System
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June 2002 |
Some Elastic Constants of Silicon Carbide
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February 1965 |
Elastic Constants of Indium Antimonide from 4.2°K to 300°K
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January 1959 |
Thermal expansion of some diamondlike crystals
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January 1975 |
Thermal conductivity of bulk and nanowire Mg Si Sn alloys from first principles
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November 2012 |
Influence of Ball-Milling, Nanostructuring, and Ag Inclusions on Thermoelectric Properties of ZnSb
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June 2010 |
A high-throughput infrastructure for density functional theory calculations
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June 2011 |
Elastic anharmonicity of InP: Its relationship to the high pressure transition
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November 1980 |
Specific heat, debye temperature, and belated properties of chalcopyrite semiconducting compounds CuGaSe2, CuGaTe2, and CuInTe2
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June 1982 |
ElaStic: A tool for calculating second-order elastic constants from first principles
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August 2013 |
Stability of the wurtzite-type structure under high pressure: GaN and InN
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January 1994 |
Elastic constants of gallium nitride
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March 1996 |
Elastic Constants of Single‐Crystal Aluminum Antimonide
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August 1960 |
Structural phase transitions in InSb to 66 GPa
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December 1989 |
Elastic Constants of Indium Antimonide
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April 1956 |
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
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February 2013 |
The New Face of Rhodium Alloys: Revealing Ordered Structures from First Principles
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January 2010 |
High pressure X-ray investigations on 3C-SiC
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July 1987 |
Thermodynamical properties of solids from microscopic theory: applications to MgF2 and Al2O3
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September 1996 |
Specific heat, Debye temperature, and related properties of compound semiconductors AIIBIVC2v
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June 1981 |
Lattice thermal conductivity of semiconductors: A chemical bond approach
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January 1970 |
Modeling Off-Stoichiometry Materials with a High-Throughput Ab-Initio Approach
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September 2016 |
Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations
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February 2014 |
Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations
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January 2011 |
Quasiharmonic Vibrational Properties of TiNiSn from Ab Initio Phonons
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December 2011 |
Electronic Effect in the Elastic Constants of Germanium
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July 1961 |
Charting the complete elastic properties of inorganic crystalline compounds
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March 2015 |
Elastic Constants of Hexagonal BeO, ZnS, and CdSe
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March 1967 |
First-principles search for -type oxide, nitride, and sulfide thermoelectrics
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July 2016 |
Comprehensive Search for New Phases and Compounds in Binary Alloy Systems Based on Platinum-Group Metals, Using a Computational First-Principles Approach
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December 2013 |
The preparation and properties of ZnSiAs2, ZnGeP2 and CdGeP2 semiconducting compounds
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November 1966 |
Thermal properties of indium nitride
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March 1998 |
Virtual laboratory for planetary materials: System service architecture overview
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August 2007 |
Elastic Constants of Single‐Crystal Indium Arsenide
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September 1963 |
Elastic Constants of ZnTe and ZnSe between 77°–300°K
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June 1970 |
Second-order elastic constants of AgCl from 20 to 430°C
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March 1996 |
The high-throughput highway to computational materials design
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February 2013 |
The elastic behaviour of mercury telluride
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March 1975 |
Correction to the elastic constants of AISb
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October 1972 |
Thermal Conductivity of MgO, , Mg , and Crystals from 3° to 300°K
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April 1962 |
Specific heat of near the Néel temperature
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May 1977 |
Brillouin scattering and elastic moduli of silver thiogallate (AgGa )
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November 1975 |
Analytic relation between bulk moduli and lattice constants
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June 1987 |
Measurement of elastic constants and internal frictions on single-crystal MgO by rectangular parallelepiped resonance.
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January 1976 |
Ab initio theory of the lattice thermal conductivity in diamond
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September 2009 |
Structure maps for hcp metals from first-principles calculations
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May 2010 |
Study of the elastic properties of gallium nitride
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August 1978 |
The AFLOW standard for high-throughput materials science calculations
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October 2015 |
High Thermal Conductivity Materials
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June 2001 |
Elastic behaviour of the chalcopyrite CdGeAs 2
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March 1982 |
The elastic constants and distance dependence of the magnetic interactions of Cr2O3
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July 1976 |
Velocity of hypersounds in lithium hydride by spontaneous brillouin scattering
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July 1976 |
Room-Temperature Thermal Conductivity and Grüneisen Parameter of the I–III–VI2 Chalcopyrite Compounds
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February 1995 |
Pressure dependence of the elastic constants of PbS
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June 1976 |
First-principles calculations of structural, elastic, thermodynamic, and electronic properties of anti-perovskites A III CNi3 (A III = Al, Ga, In)
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December 2015 |
Brillouin scattering in diamond
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April 1975 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
Elastic, piezoelectric and dielectric properties of ZnO and CdS single crystals in a wide range of temperatures
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July 1980 |
First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
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July 2013 |
AFLOW: An automatic framework for high-throughput materials discovery
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June 2012 |
Elastic constants and refractive index of boron phosphide
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April 1984 |
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
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June 2012 |
Modeling hardness of polycrystalline materials and bulk metallic glasses
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September 2011 |
The Effect of Pressure Upon the Elastic Parameters of Isotropic Solids, According to Murnaghan's Theory of Finite Strain
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April 1938 |
Thermo-elastische Konstanten der Alkalihalogenide vom NaCl-Typ
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April 1960 |
Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems
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June 1957 |
Elastic Moduli of Single‐Crystal Gallium Arsenide
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April 1959 |
Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling
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February 2014 |