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Crystal structure from one-electron theory

https://doi.org/10.1103/physrevb.31.1909
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The Physics of Solids under High Pressure
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Electroresistance of Cerium at Phase Transitions under Hydrostatic Pressure up to 8.0 GPa.P-T Diagram of the Cerium Phase Transitions
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The LMTO Method: Muffin-Tin Orbitals and Electronic Structure
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Zur Gittertheorie der Ionenkristalle
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Computer calculations of phase diagrams
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Stability and axial ratios of various close-packed structures
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Concerning the crystal structure sequence in the lanthanide metals and alloys; evidence for contribution to the bonding
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Phase diagram compressibility and resistance of americium as a function of pressure
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Lutetium: High pressure polymorph and compression
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Solid solution intra-rare-earth alloys: A review of alloying behavior and structure
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Studies on the pressure-temperature phase diagram of Nd, Sm, Gd and Dy
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Crystal structure of the high pressure form of Am
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High pressure equation of state of rubidium
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A physicist's view of the energetics of transition metals
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The enthalpy of solution for solid binary alloys of two 4d-transition metals
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Phase transitions in K and Rb under pressure
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Phase transitions in alkaline earth metals under pressure
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RARE EARTHS AND THE ACTINIDES
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Moments developments
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Systematics and the properties of the lanthanides
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Phase transformations in Americium at high pressure: Relation to rare earth elements
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The Theory of the Properties of Metals and Alloys
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Structural and electronic changes in europium and ytterbium under pressures of 200 kbar and above
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Compressibilities of the Alkali Metals
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Electrons at the Fermi surface
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First-principles calculations of the theoretical tensile strength of copper
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The α-γ transition in cerium is a Mott transition
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On the structure of the transition metals
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On the structure of the transition metals II. Computed densities of states
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Theory of the crystal structures of transition metals
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A local exchange-correlation potential for the spin polarized case. i
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The electronic structure of calcium
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The crystal structures of the elements: pseudopotential theory revisited
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Delocalisation of 5f electrons in berkelium and californium metals under pressure
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Pressure cell-boundary relation, Fermi levels and surface dipoles for transition metals
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The phase boundaries in binary alloys, part 2: the theory of the , phase boundaries
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Effect of Temperature and Pressure on the Electrical Resistance of Four Alkaline Earth Metals
inferredcites →https://doi.org/10.1103/physrev.132.1620openalex-snapshot
Phase Diagrams of Calcium and Strontium at High Pressures
inferredcites →https://doi.org/10.1103/physrev.134.a691openalex-snapshot
Phase Transformation in Samarium Induced by High Pressure and Its Effect on the Antiferromagnetic Ordering
inferredcites →https://doi.org/10.1103/physrev.135.a1056openalex-snapshot
Fusion Curve of Europium, Fusion, and fcc-bcc Transformation in Ytterbium at High Pressures
inferredcites →https://doi.org/10.1103/physrev.139.a682openalex-snapshot
Effect of Pressure on the Magnetic Properties and Crystal Structure of Gd, Tb, Dy, and Ho
inferredcites →https://doi.org/10.1103/physrev.139.a690openalex-snapshot
Solid-Liquid and Solid-Solid Transformations in the Rare-Earth Metals at High Pressures
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physrev.154.438openalex-snapshot
Magnetic Properties of Some Rare-Earth Alloys at High Pressures
inferredcites →https://doi.org/10.1103/physrev.161.445openalex-snapshot
Electronic Theory of Phase Transitions in Ca, Sr, and Ba under Pressure
inferredcites →https://doi.org/10.1103/physrev.177.1063openalex-snapshot
Metal-Semiconductor Transition in Ytterbium and Strontium at High Pressure
inferredcites →https://doi.org/10.1103/physrev.183.435openalex-snapshot
Positron Annihilation in γ - and α -Cerium
inferredcites →https://doi.org/10.1103/physrevb.10.1369openalex-snapshot
Electronic structure and optical properties of metallic calcium
inferredcites →https://doi.org/10.1103/physrevb.11.2836openalex-snapshot
Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties
inferredcites →https://doi.org/10.1103/physrevb.12.3060openalex-snapshot
Linear methods in band theory
inferredcites →https://doi.org/10.1103/physrevb.13.1468openalex-snapshot
Alloy theory of the intermediate valence state: Application to europium metal
inferredcites →https://doi.org/10.1103/physrevb.18.5449openalex-snapshot
First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms
inferredcites →https://doi.org/10.1103/physrevb.2.3911openalex-snapshot
New First-Order Phase Transition in High-Purity Ytterbium Metal
inferredcites →https://doi.org/10.1103/physrevb.20.3210openalex-snapshot
Relativistic effects, phonons, and the isostructural transition in cesium
inferredcites →https://doi.org/10.1103/physrevb.20.4082openalex-snapshot
First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solids
inferredcites →https://doi.org/10.1103/physrevb.24.1643openalex-snapshot
Electrical-resistance behavior of Ca at high pressures and low temperatures
inferredcites →https://doi.org/10.1103/physrevb.26.1754openalex-snapshot
Density-functional formulation of the generalized pseudopotential theory. II
inferredcites →https://doi.org/10.1103/physrevb.26.4745openalex-snapshot
Mean valence of Yb metal in the pressure range 0 to 340 kbar
inferredcites →https://doi.org/10.1103/physrevb.27.3235openalex-snapshot
Structural phase stability in third-period simple metals
inferredcites →https://doi.org/10.1103/physrevb.28.1193openalex-snapshot
High-pressure phase transitions in potassium and phase relations among heavy alkali metals
inferredcites →https://doi.org/10.1103/physrevb.29.5982openalex-snapshot
Alkali-metal structures above the s−d transition
inferredcites →https://doi.org/10.1103/physrevb.29.682openalex-snapshot
Theoretical high-pressure equations of state and phase diagrams of the alkali metals
inferredcites →https://doi.org/10.1103/physrevb.7.674openalex-snapshot
Electronic Structure of Calcium as a Function of the Lattice Constant
inferredcites →https://doi.org/10.1103/physrevb.8.1338openalex-snapshot
Hybridization and the fcc-bcc Phase Transitions in Calcium and Strontium
inferredcites →https://doi.org/10.1103/physrevlett.10.387openalex-snapshot
Melting and Polymorphism of Barium at High Pressures
inferredcites →https://doi.org/10.1103/physrevlett.32.773openalex-snapshot
Structure of Cerium Metal at High Pressure
inferredcites →https://doi.org/10.1103/physrevlett.38.564openalex-snapshot
Correlation between d -Band Occupancy and Crystal Structure in the Rare Earths
inferredcites →https://doi.org/10.1103/physrevlett.47.1065openalex-snapshot
Structural Phase Transitions in Yttrium under Pressure
inferredcites →https://doi.org/10.1103/physrevlett.48.809openalex-snapshot
High-Pressure Structural Phase Transitions in Na, Mg, and Al
inferredcites →https://doi.org/10.1103/physrevlett.49.1572openalex-snapshot
Evidence for a Soft Phonon Mode and a New Structure in Rare-Earth Metals under Pressure
inferredcites →https://doi.org/10.1103/physrevlett.49.1768openalex-snapshot
Calculated Structural Phase Transitions in the Alkaline Earth Metals
inferredcites →https://doi.org/10.1103/physrevlett.49.1772openalex-snapshot
X-Ray Diffraction Study of Electronic Transitions in Cesium under High Pressure
inferredcites →https://doi.org/10.1107/s0365110x5200006xopenalex-snapshot
Crystal chemical studies of the 5f-series of elements. XVI. Identification and crystal structure of protactinium metal and of protactinium monoxide
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The Physics of Metals—1. Electrons
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Ytterbium: Effect of Pressure and Temperature on Resistance
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Semiconducting Region of Ytterbium
inferredcites →https://doi.org/10.1126/science.144.3614.69openalex-snapshot
Allotropy in Some Rare-Earth Metals at High Pressures
inferredcites →https://doi.org/10.1126/science.146.3649.1297openalex-snapshot
High Pressure Polymorphism in Cesium
inferredcites →https://doi.org/10.1126/science.180.4083.298openalex-snapshot
High-Pressure Polymorph of Thulium: An X-ray Diffraction Study
inferredcites →https://doi.org/10.1126/science.207.4437.1353openalex-snapshot
High-Pressure Phase in Americium Metal
inferredcites →https://doi.org/10.1126/science.219.4588.1071openalex-snapshot
Lithium, Compression and High-Pressure Structure
inferredcites →https://doi.org/10.1143/jpsj.42.882openalex-snapshot
A New Allotropic Phase of Cerium above 121 kbar
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Metallurgical Chemistry
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Electronic structure of transition metal compounds; ground-state properties of the 3d-monoxides in the atomic sphere approximation
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Structural relationships in americium metal

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Computational materials science: The emergence of predictive capabilities of material behaviour
inferred← citeshttps://doi.org/10.1007/bf02744749openalex-snapshot
Atomistic simulation of epitaxial interfaces and polytypes
inferred← citeshttps://doi.org/10.1007/bf02744780openalex-snapshot
Correlation between electronic structure, mechanical properties and phase stability in intermetallic compounds
inferred← citeshttps://doi.org/10.1007/bf02745215openalex-snapshot
Behaviour of materials under shock loading conditions
inferred← citeshttps://doi.org/10.1007/bf02847039openalex-snapshot
Effect of pressure on the Fermi surface of potassium
inferred← citeshttps://doi.org/10.1007/bf02877582openalex-snapshot
Structural energies and phase stability in Ni-Cr alloys
inferred← citeshttps://doi.org/10.1007/s10820-008-9093-1openalex-snapshot
Extrapolative procedures in modelling and simulations: the role of instabilities
inferred← citeshttps://doi.org/10.1007/s10854-021-05237-6openalex-snapshot
Synthesis, structural and electrical conduction of some dual doped semiconductor oxides nanoparticles for photocatalytic degradation of Victoria blue-B and Brilliant yellow under solar light irradiation
inferred← citeshttps://doi.org/10.1007/s11244-021-01515-zopenalex-snapshot
Classifying Intermetallic Tetragonal Phase of All-d-Metal Heusler Alloys for Catalysis Applications
inferred← citeshttps://doi.org/10.1007/s11467-013-0391-zopenalex-snapshot
Concentration-dependent crystal structure, elastic constants and electronic structure of Zr x Ti1−x alloys under high pressure
inferred← citeshttps://doi.org/10.1007/s11661-006-0200-1openalex-snapshot
The magic of plutonium: 5f electrons and phase instability
inferred← citeshttps://doi.org/10.1007/s11669-009-9570-6openalex-snapshot
First-Principles Calculations and CALPHAD Modeling of Thermodynamics
inferred← citeshttps://doi.org/10.1007/s11669-011-9932-8openalex-snapshot
Research on the Lattice Stability of Elemental Be, Mg, Ca, Sr, Ba and Ra by the Ultra-Soft Pseudo-Potential Method in First Principles
inferred← citeshttps://doi.org/10.1007/s11669-018-0654-zopenalex-snapshot
Ocean of Data: Integrating First-Principles Calculations and CALPHAD Modeling with Machine Learning
inferred← citeshttps://doi.org/10.1007/s12043-011-0066-7openalex-snapshot
Acoustic wave propagation in Ni3 R (R = Mo, Nb, Ta) compounds
inferred← citeshttps://doi.org/10.1007/s12598-009-0042-2openalex-snapshot
First‐principles study on the lattice stability of elemental Co, Rh, and Ir in the VIIIB group
inferred← citeshttps://doi.org/10.1016/0001-6160(89)90271-xopenalex-snapshot
The effect of the structural energy of Cr on the NiCr equilibrium phase diagram
inferred← citeshttps://doi.org/10.1016/0008-6223(94)90063-9openalex-snapshot
Alkali metal state in graphite intercalation compounds obtained under high pressures
inferred← citeshttps://doi.org/10.1016/0022-0248(95)00419-xopenalex-snapshot
Cross-twinning model of fcc crystal growth
inferred← citeshttps://doi.org/10.1016/0022-5088(86)90244-4openalex-snapshot
Foundations of rare earth magnetism
inferred← citeshttps://doi.org/10.1016/0022-5088(87)90423-1openalex-snapshot
Band calculations for mixed-valent systems
inferred← citeshttps://doi.org/10.1016/0022-5088(88)90257-3openalex-snapshot
On the composition range of amorphous binary transition metal alloys
inferred← citeshttps://doi.org/10.1016/0022-5088(88)90350-5openalex-snapshot
Electronic structure of neptunium
inferred← citeshttps://doi.org/10.1016/0022-5088(88)90391-8openalex-snapshot
Thermodynamics of the stability of amorphous alloys of two transition metals
inferred← citeshttps://doi.org/10.1016/0022-5088(89)90464-5openalex-snapshot
Pressure effects on the electronic structure of 4f and 5f materials
inferred← citeshttps://doi.org/10.1016/0022-5088(89)90467-0openalex-snapshot
LIII X-ray absorption in lanthanides at high pressures
inferred← citeshttps://doi.org/10.1016/0022-5088(90)90057-qopenalex-snapshot
Calculated cohesive properties of lanthanide and lanthanide-like actinide elements
inferred← citeshttps://doi.org/10.1016/0025-5416(88)90355-2openalex-snapshot
Local icosahedral packing energetics for d-band metals
inferred← citeshttps://doi.org/10.1016/0038-1098(85)90418-1openalex-snapshot
Theorems connecting surface energies and electrostatic potentials of finite and semi-infinite jellia and cavities
inferred← citeshttps://doi.org/10.1016/0038-1098(87)91120-3openalex-snapshot
Potassium at high pressure: Anomaly in the 500 kbar-regime
inferred← citeshttps://doi.org/10.1016/0038-1098(89)90742-4openalex-snapshot
Structural properties of BCC and FCC iron: LMTO-ASA-Stoner calculations
inferred← citeshttps://doi.org/10.1016/0039-6028(91)90851-iopenalex-snapshot
Electronic structure, magnetism and growth of ultrathin films of transition metals
inferred← citeshttps://doi.org/10.1016/0039-6028(94)00822-1openalex-snapshot
Faceting phase transitions of Mo(111) induced by Pd, Au and oxygen overlayers
inferred← citeshttps://doi.org/10.1016/0039-6028(94)91317-xopenalex-snapshot
Fourth moment approximation to tight binding: application to bcc transition metals
inferred← citeshttps://doi.org/10.1016/0167-2738(89)90349-4openalex-snapshot
First-principles calculation of the Ni-Cr phase diagram
inferred← citeshttps://doi.org/10.1016/0167-5729(86)90003-8openalex-snapshot
Chemisorption phenomena: Analytic modeling based on perturbation theory and bond-order conservation
inferred← citeshttps://doi.org/10.1016/0167-577x(96)80008-5openalex-snapshot
Hexagonal-close-packed face-centered-cubic transformation in irradiated hafnium thin films
inferred← citeshttps://doi.org/10.1016/0304-8853(94)01579-1openalex-snapshot
Magnetic effects on structural, elastic and surface properties of the 3d ferromagnets
inferred← citeshttps://doi.org/10.1016/0364-5916(86)90001-5openalex-snapshot
Summary of the Proceedings of the Fifteenth Calphad Meeting
inferred← citeshttps://doi.org/10.1016/0364-5916(87)90032-0openalex-snapshot
On the lattice stabilities for Cr, Mo and W
inferred← citeshttps://doi.org/10.1016/0364-5916(88)90037-5openalex-snapshot
A thermodynamic analysis of the calphad approach to phase stability of the transition metals
inferred← citeshttps://doi.org/10.1016/0364-5916(88)90038-7openalex-snapshot
Metastable lattice stabilities for the elements
inferred← citeshttps://doi.org/10.1016/0364-5916(90)90017-topenalex-snapshot
Lattice stabilities of the second transition series
inferred← citeshttps://doi.org/10.1016/0364-5916(96)00004-1openalex-snapshot
Workshop on thermodynamic models and data for pure elements and other endmembers of solutions
inferred← citeshttps://doi.org/10.1016/0378-4363(85)90427-9openalex-snapshot
Electronic structure study of the heavy fermion superconductor UBe13
inferred← citeshttps://doi.org/10.1016/0378-4363(85)90428-0openalex-snapshot
Electronic structure and mass enhancement of the heavy fermion superconductor UPt3
inferred← citeshttps://doi.org/10.1016/0378-4363(86)90289-5openalex-snapshot
AlB2 to Laves phase transition in ThAl2 under pressure
inferred← citeshttps://doi.org/10.1016/0378-4363(86)90519-xopenalex-snapshot
Pressure-induced changes in the electronic structure of solids
inferred← citeshttps://doi.org/10.1016/0378-4371(89)90114-3openalex-snapshot
Ground-state properties of metallic lithium
inferred← citeshttps://doi.org/10.1016/0921-4526(89)90043-4openalex-snapshot
Possibility of spontaneous vitrification in Ti-Cr alloys
inferred← citeshttps://doi.org/10.1016/0921-4526(94)00351-uopenalex-snapshot
Simple calculation of hybridization effects in UTX and U2T2X compounds
inferred← citeshttps://doi.org/10.1016/0921-5093(89)90417-6openalex-snapshot
Thermodynamic modeling of site occupation in the γ′ phase of the NiAlHf system
inferred← citeshttps://doi.org/10.1016/0925-8388(94)90915-6openalex-snapshot
Crystallographic phase transitions in actinide metals as a function of pressure
inferred← citeshttps://doi.org/10.1016/0925-8388(94)91071-5openalex-snapshot
Calculations of valence stabilities for the lanthanide metals
inferred← citeshttps://doi.org/10.1016/0925-8388(94)91116-9openalex-snapshot
Crystal structure and superconductivity of high pressure hydrides and deuterides of HfRu and ZrRu compounds
inferred← citeshttps://doi.org/10.1016/0956-716x(92)90112-ropenalex-snapshot
Onset of structural transformation in thorium metal at high pressures
inferred← citeshttps://doi.org/10.1016/0956-716x(94)90169-4openalex-snapshot
Phase transformation in titanium induced by laser heating at high pressure
inferred← citeshttps://doi.org/10.1016/0966-9795(94)p3681-dopenalex-snapshot
On the phase stability of transition metal trialuminide compounds
inferred← citeshttps://doi.org/10.1016/1359-835x(96)00050-4openalex-snapshot
Diffusivity of carbon in the copper matrix. Influence of alloying
inferred← citeshttps://doi.org/10.1016/b0-08-043152-6/00148-0openalex-snapshot
Bonding Models: Transition Metal
inferred← citeshttps://doi.org/10.1016/b0-08-043152-6/01872-6openalex-snapshot
Electronic Structure Calculations of Phase Stability: Cohesive and Elastic Properties
inferred← citeshttps://doi.org/10.1016/b978-0-08-040603-9.50026-8openalex-snapshot
P
inferred← citeshttps://doi.org/10.1016/b978-0-08-102941-1.00003-1openalex-snapshot
Bayesian error estimation in density functional theory
inferred← citeshttps://doi.org/10.1016/b978-0-12-053620-7.50032-9openalex-snapshot
References
inferred← citeshttps://doi.org/10.1016/b978-0-12-690845-9.50022-1openalex-snapshot
Modeling of Ternary Phase Equilibrium by the Cluster Variation Method
inferred← citeshttps://doi.org/10.1016/b978-0-444-87478-8.50007-4openalex-snapshot
Quantum Theory of Structure: sp-Bonded Systems
inferred← citeshttps://doi.org/10.1016/b978-0-444-88864-8.50149-7openalex-snapshot
ATOMIC–SCALE CALCULATIONS AND SIMULATIONS FOR MATERIALS SYNTHESIS AND DESIGN
inferred← citeshttps://doi.org/10.1016/b978-0-444-89732-9.50036-4openalex-snapshot
BAND STRUCTURE CALCULATIONS TO PREDICT PHASE TRANSFORMATIONS AT HIGH PRESSURES
inferred← citeshttps://doi.org/10.1016/b978-008042145-2/50016-xopenalex-snapshot
Phases and crystal structures
inferred← citeshttps://doi.org/10.1016/b978-044482794-4/50030-9openalex-snapshot
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CRYSTAL STRUCTURE OF THE METALLIC ELEMENTS
inferred← citeshttps://doi.org/10.1016/b978-1-85166-973-8.50082-3openalex-snapshot
Local Icosahedral Packing Energetics for d-band Metals
inferred← citeshttps://doi.org/10.1016/j.actamat.2006.04.013openalex-snapshot
Alloying effects on the stacking fault energy in austenitic stainless steels from first-principles theory
inferred← citeshttps://doi.org/10.1016/j.actamat.2008.02.028openalex-snapshot
Cubic MgH2 stabilized by alloying with transition metals: A density functional theory study
inferred← citeshttps://doi.org/10.1016/j.actamat.2017.08.045openalex-snapshot
Phase selection rule for Al-doped CrMnFeCoNi high-entropy alloys from first-principles
inferred← citeshttps://doi.org/10.1016/j.actamat.2020.08.005openalex-snapshot
Chemical ordering controlled thermo-elasticity of AlTiVCr1-Nb high-entropy alloys
inferred← citeshttps://doi.org/10.1016/j.actamat.2020.08.008openalex-snapshot
Computational thermodynamics and its applications
inferred← citeshttps://doi.org/10.1016/j.actamat.2024.119995openalex-snapshot
First-principles thermodynamics of precipitation in aluminum-containing refractory alloys
inferred← citeshttps://doi.org/10.1016/j.calphad.2004.05.002openalex-snapshot
Ab initio lattice stability in comparison with CALPHAD lattice stability
inferred← citeshttps://doi.org/10.1016/j.calphad.2006.09.002openalex-snapshot
Ab initio lattice stabilities of some elemental complex structures
inferred← citeshttps://doi.org/10.1016/j.calphad.2006.11.004openalex-snapshot
Development of a metastable phase diagram to describe solidification in undercooled Fe–Co melts
inferred← citeshttps://doi.org/10.1016/j.calphad.2021.102359openalex-snapshot
Ab initio simulations on the pure Cr lattice stability at 0K: Verification with the Fe-Cr and Ni-Cr binary systems
inferred← citeshttps://doi.org/10.1016/j.calphad.2023.102580openalex-snapshot
Thermodynamics and its prediction and CALPHAD modeling: Review, state of the art, and perspectives
inferred← citeshttps://doi.org/10.1016/j.calphad.2025.102894openalex-snapshot
A third-generation Calphad description of pure Nb
inferred← citeshttps://doi.org/10.1016/j.calphad.2026.102927openalex-snapshot
3rd generation CALPHAD modelling of high-melting pure elements aided by ab initio calculations: case study on Mo
inferred← citeshttps://doi.org/10.1016/j.commatsci.2008.06.016openalex-snapshot
The self-consistent ab initio lattice dynamical method
inferred← citeshttps://doi.org/10.1016/j.commatsci.2013.03.025openalex-snapshot
First-principles study of structure and properties of ω-Ti2Zr
inferred← citeshttps://doi.org/10.1016/j.commatsci.2013.06.018openalex-snapshot
Elasticity behavior, phonon spectra, and the pressure–temperature phase diagram of HfTi alloy: A density-functional theory study
inferred← citeshttps://doi.org/10.1016/j.commatsci.2018.10.028openalex-snapshot
First-principles calculations of phase transition, elasticity, phonon spectra, and thermodynamic properties for hafnium
inferred← citeshttps://doi.org/10.1016/j.commatsci.2018.12.027openalex-snapshot
Elastic properties of 4d transition metal alloys: Values and trends
inferred← citeshttps://doi.org/10.1016/j.commatsci.2019.01.049openalex-snapshot
Effects of electronic structures on mechanical properties of transition metals and alloys
inferred← citeshttps://doi.org/10.1016/j.cplett.2006.04.086openalex-snapshot
Molecular electronic properties and vibrational characteristics of PCCN…HX/DX (X = F, Cl, Br) inter-molecular complexes
inferred← citeshttps://doi.org/10.1016/j.crte.2018.08.006openalex-snapshot
Structural phase transitions in aluminium above 320 GPa
inferred← citeshttps://doi.org/10.1016/j.epsl.2020.116380openalex-snapshot
Electrical resistivity of solid and liquid Pt: Insight into electrical resistivity of ε-Fe
inferred← citeshttps://doi.org/10.1016/j.icarus.2021.114367openalex-snapshot
Martian core heat flux: Electrical resistivity and thermal conductivity of liquid Fe at martian core P-T conditions
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2011.05.038openalex-snapshot
Prediction of crystal structure, lattice dynamical, and mechanical properties of CaB2H2
inferred← citeshttps://doi.org/10.1016/j.ijplas.2026.104782openalex-snapshot
Prediction of stacking fault energies and critical resolved shear stresses for hexagonal close-packed Mg solid solutions from first principle alloy theory
inferred← citeshttps://doi.org/10.1016/j.jallcom.2008.12.052openalex-snapshot
Density-functional study of the U–Zr system
inferred← citeshttps://doi.org/10.1016/j.jallcom.2013.07.138openalex-snapshot
First-principles phase stability in the Ti-V alloy system
inferred← citeshttps://doi.org/10.1016/j.jallcom.2017.04.318openalex-snapshot
Structure of the high-entropy alloy Al CrFeCoNi: fcc versus bcc
inferred← citeshttps://doi.org/10.1016/j.jcrysgro.2004.02.015openalex-snapshot
Epitaxial growth of europium on (110)Nb and (0001)Y
inferred← citeshttps://doi.org/10.1016/j.jmmm.2018.05.086openalex-snapshot
LDA + DMFT and LDA + U study of the electronic and magnetic properties of DyFeSi
inferred← citeshttps://doi.org/10.1016/j.jmrt.2023.03.031openalex-snapshot
Prediction of mechanical properties of AlTiCrVNb high entropy alloys with B2 ordered structure
inferred← citeshttps://doi.org/10.1016/j.jmrt.2024.02.064openalex-snapshot
First-principles design of high strength refractory high-entropy alloys
inferred← citeshttps://doi.org/10.1016/j.jnucmat.2004.12.001openalex-snapshot
Structural properties and high-temperature reactions of the metastable Ω phase in Zr–Nb alloys
inferred← citeshttps://doi.org/10.1016/j.jnucmat.2008.09.029openalex-snapshot
Density-functional study of Zr-based actinide alloys
inferred← citeshttps://doi.org/10.1016/j.jnucmat.2011.10.039openalex-snapshot
First-principles calculations of phase transition, elasticity, and thermodynamic properties for TiZr alloy
inferred← citeshttps://doi.org/10.1016/j.jpcs.2005.03.004openalex-snapshot
Experimental constraints on the phase diagram of elemental zirconium
inferred← citeshttps://doi.org/10.1016/j.jpcs.2008.05.016openalex-snapshot
Experimental constraints on the phase diagram of titanium metal
inferred← citeshttps://doi.org/10.1016/j.jpcs.2009.02.001openalex-snapshot
High-pressure behaviour and elastic properties of heavy rare-earth Gd monopnictides
inferred← citeshttps://doi.org/10.1016/j.jpcs.2010.07.014openalex-snapshot
A theoretical study of structural, elastic and thermal properties of heavy lanthanide monoantimonides
inferred← citeshttps://doi.org/10.1016/j.jsbmb.2007.11.005openalex-snapshot
Synthesis and density functional theoretical study of steroidal spiro-triazolidinone
inferred← citeshttps://doi.org/10.1016/j.jssc.2007.12.010openalex-snapshot
High-pressure X-ray diffraction study of SrMoO4 and pressure-induced structural changes
inferred← citeshttps://doi.org/10.1016/j.jssc.2023.123867openalex-snapshot
Structural phase stability and thermodynamical properties of transition metal complex hydrides Na2MgTMH7 (TM=Sc−Cu) for hydrogen storage applications
inferred← citeshttps://doi.org/10.1016/j.matchar.2021.111358openalex-snapshot
Direct energy deposition of high strength austenitic stainless steel matrix nanocomposite with superior ductility: Microstructure, tensile properties, and deformation behavior
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2025.130608openalex-snapshot
Atomic physical quantities leading to the equilibrium crystal structure of metals
inferred← citeshttps://doi.org/10.1016/j.matdes.2017.03.057openalex-snapshot
Tuning the plasticity of Ni-Mo solid solution in Ni-based superalloys by ab initio calculations
inferred← citeshttps://doi.org/10.1016/j.matdes.2019.108033openalex-snapshot
Theoretical investigation of the phase stability and elastic properties of TiZrHfNb-based high entropy alloys
inferred← citeshttps://doi.org/10.1016/j.matdes.2024.112683openalex-snapshot
Chemical ordering induced elastic hardening and thermoelastic properties of β phase Mg1-Sc lightweight shape memory alloys
inferred← citeshttps://doi.org/10.1016/j.matlet.2004.04.033openalex-snapshot
Calculation of elastic constants of 4d transition metals
inferred← citeshttps://doi.org/10.1016/j.matt.2019.12.023openalex-snapshot
Unveiling the Electronic Origin for Pressure-Induced Phase Transitions in High-Entropy Alloys
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