Crystal structure from one-electron theory

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Handbook on the Physics and Chemistry of Rare Earths

2015 • 6,583 citations

Linear methods in band theory

1975 • 6,378 citations

A local exchange-correlation potential for the spin polarized case. i

1972 • 5,288 citations

The LMTO Method

1984 • 1,819 citations

The Theory of the Properties of Metals and Alloys

1937 • 1,225 citations

Zur Gittertheorie der Ionenkristalle

1932 • 902 citations

Electrons at the Fermi surface

1981 • 631 citations

The α-γ transition in cerium is a Mott transition

1974 • 494 citations

Correlation between<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>-Band Occupancy and Crystal Structure in the Rare Earths

1977 • 415 citations

The Physics of Solids under High Pressure

1982 • 384 citations

Computer calculations of phase diagrams

1986 • 378 citations

Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties

1975 • 258 citations

Theory of the crystal structures of transition metals

1970 • 245 citations

Moments developments

1971 • 239 citations

Electronic structure of transition metal compounds; ground-state properties of the 3d-monoxides in the atomic sphere approximation

1980 • 237 citations

Structural phase stability in third-period simple metals

1983 • 223 citations

First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms

1978 • 199 citations

First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solids

1979 • 194 citations

The crystal structures of the elements: pseudopotential theory revisited

1983 • 187 citations

The phase boundaries in binary alloys, part 2: the theory of the , phase boundaries

1937 • 175 citations

Phase transitions in alkaline earth metals under pressure

1984 • 174 citations

Systematics and the properties of the lanthanides

1982 • 167 citations

High-Pressure Structural Phase Transitions in Na, Mg, and Al

1982 • 164 citations

Calculated Structural Phase Transitions in the Alkaline Earth Metals

1982 • 163 citations

The Physics of Metals—1. Electrons

1970 • 157 citations

Density-functional formulation of the generalized pseudopotential theory. II

1982 • 145 citations

High Pressure Polymorphism in Cesium

1964 • 145 citations

Effect of Pressure on the Magnetic Properties and Crystal Structure of Gd, Tb, Dy, and Ho

1965 • 145 citations

X-Ray Diffraction Study of Electronic Transitions in Cesium under High Pressure

1982 • 129 citations

The enthalpy of solution for solid binary alloys of two 4d-transition metals

1983 • 124 citations

Compressibilities of the Alkali Metals

1938 • 121 citations

Positron Annihilation in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>γ</mml:mi></mml:math>- and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-Cerium

1969 • 119 citations

A physicist's view of the energetics of transition metals

1977 • 116 citations

Metallurgical Chemistry

1973 • 116 citations

Metal-Semiconductor Transition in Ytterbium and Strontium at High Pressure

1969 • 111 citations

Pressure cell-boundary relation, Fermi levels and surface dipoles for transition metals

1976 • 109 citations

Alkali-metal structures above the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>s</mml:mi><mml:mo>−</mml:mo><mml:mi>d</mml:mi></mml:math>transition

1984 • 105 citations

Rare earths and actinides

1982 • 94 citations

Relativistic effects, phonons, and the isostructural transition in cesium

1979 • 94 citations

Concerning the crystal structure sequence in the lanthanide metals and alloys; evidence for contribution to the bonding

1968 • 91 citations

Phase Transformation in Samarium Induced by High Pressure and Its Effect on the Antiferromagnetic Ordering

1964 • 91 citations

Theoretical high-pressure equations of state and phase diagrams of the alkali metals

1984 • 86 citations

Lithium, Compression and High-Pressure Structure

1983 • 83 citations

Hybridization and the fcc-bcc Phase Transitions in Calcium and Strontium

1973 • 81 citations

First-principles calculations of the theoretical tensile strength of copper

1980 • 81 citations

Solid-Liquid and Solid-Solid Transformations in the Rare-Earth Metals at High Pressures

1965 • 79 citations

Structural Phase Transitions in Yttrium under Pressure

1981 • 79 citations

Electronic Theory of Phase Transitions in Ca, Sr, and Ba under Pressure

1967 • 78 citations

Allotropy in Some Rare-Earth Metals at High Pressures

1964 • 77 citations

New First-Order Phase Transition in High-Purity Ytterbium Metal

1970 • 76 citations

Phase Diagrams of Calcium and Strontium at High Pressures

1963 • 75 citations

Structure of Cerium Metal at High Pressure

1974 • 74 citations

Phase transitions in K and Rb under pressure

1983 • 71 citations

High-pressure phase transitions in potassium and phase relations among heavy alkali metals

1983 • 71 citations

Evidence for a Soft Phonon Mode and a New Structure in Rare-Earth Metals under Pressure

1982 • 68 citations

Effect of Temperature and Pressure on the Electrical Resistance of Four Alkaline Earth Metals

1963 • 68 citations

Delocalisation of 5f electrons in berkelium and californium metals under pressure

1984 • 65 citations

Fusion Curve of Europium, Fusion, and fcc-bcc Transformation in Ytterbium at High Pressures

1964 • 64 citations

Mean valence of Yb metal in the pressure range 0 to 340 kbar

1982 • 63 citations

Electrical-resistance behavior of Ca at high pressures and low temperatures

1981 • 60 citations

High-Pressure Phase in Americium Metal

1980 • 59 citations

Crystal chemical studies of the 5f-series of elements. XVI. Identification and crystal structure of protactinium metal and of protactinium monoxide

1952 • 58 citations

Semiconducting Region of Ytterbium

1963 • 56 citations

A New Allotropic Phase of Cerium above 121 kbar

1977 • 54 citations

Electronic Structure of Calcium as a Function of the Lattice Constant

1973 • 52 citations

Melting and Polymorphism of Barium at High Pressures

1963 • 50 citations

High pressure equation of state of rubidium

1982 • 49 citations

Phase diagram compressibility and resistance of americium as a function of pressure

1968 • 48 citations

Magnetic Properties of Some Rare-Earth Alloys at High Pressures

1967 • 48 citations

The electronic structure of calcium

1981 • 45 citations

Studies on the pressure-temperature phase diagram of Nd, Sm, Gd and Dy

1978 • 43 citations

Electronic structure and optical properties of metallic calcium

1974 • 40 citations

On the structure of the transition metals

1968 • 38 citations

On the structure of the transition metals II. Computed densities of states

1969 • 34 citations

Stability and axial ratios of various close-packed structures

1967 • 34 citations

Lutetium: High pressure polymorph and compression

1975 • 33 citations

Ytterbium: Effect of Pressure and Temperature on Resistance

1963 • 32 citations

Alloy theory of the intermediate valence state: Application to europium metal

1976 • 31 citations

Phase transformations in Americium at high pressure: Relation to rare earth elements

1980 • 31 citations

Crystal structure of the high pressure form of Am

1979 • 31 citations

Solid solution intra-rare-earth alloys: A review of alloying behavior and structure

1970 • 24 citations

High-Pressure Polymorph of Thulium: An X-ray Diffraction Study

1973 • 20 citations

Structural relationships in americium metal

1982 • 17 citations

Electroresistance of Cerium at Phase Transitions under Hydrostatic Pressure up to 8.0 GPa.P-T Diagram of the Cerium Phase Transitions

1983 • 11 citations

Structural and electronic changes in europium and ytterbium under pressures of 200 kbar and above

1979 • 6 citations