Volker Heine
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New Zealand scientist
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Physics
Why Is Volker Heine Influential?
(Suggest an Edit or Addition)According to Wikipedia, Volker Heine FRS is a New Zealand / British physicist. He is married to Daphne and they have three children. Volker Heine is considered a pioneer of theoretical and computational studies of the electronic structure of solids and liquids and the determination of physical properties derived from it.
Volker Heine's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Theory of Surface States (1965) (700)
- The screened model potential for 25 elements (1965) (650)
- A new method for the electronic structure of metals (1964) (546)
- Electronic structure based on the local atomic environment for tight-binding bands. II (1972) (536)
- s-d Interaction in Transition Metals (1967) (440)
- THE MODEL POTENTIAL FOR POSITIVE IONS (1965) (377)
- Group theory in quantum mechanics (1960) (370)
- The Fitting of Pseudopotentials to Experimental Data and Their Subsequent Application (1970) (365)
- Group Theory: Application to the Physics of Condensed Matter (2008) (350)
- Pseudopotential Theory of Cohesion and Structure (1970) (302)
- Cancellation of kinetic and potential energy in atoms, molecules, and solids (1961) (289)
- The Pseudopotential Concept (1970) (244)
- General Theory of Pseudopotentials (1962) (244)
- Theory of the temperature dependence of electronic band structures (1976) (237)
- Electronic Structure from the Point of View of the Local Atomic Environment (1980) (236)
- Rigid-unit phonon modes and structural phase transitions in framework silicates (1996) (231)
- Origin of the negative thermal expansion in and (1996) (211)
- Spin density wave and soft phonon mode from nesting Fermi surfaces (1973) (204)
- Too cool to work (2015) (202)
- Theory of lattice contraction at aluminium surfaces (1974) (202)
- The Determination of Rigid-Unit Modes as Potential Soft Modes for Displacive Phase Transitions in Framework Crystal Structures (1993) (189)
- On the General Theory of Surface States and Scattering of Electrons in Solids (1963) (173)
- Magnetic, chemical and structural ordering in transition metals (1983) (154)
- Electronic band structure and covalency in diamond-type semiconductors (1969) (148)
- Rigid unit modes in framework silicates (1995) (146)
- Physics of Transition Metals (1981) (144)
- SURFACE STATES IN SILICON FROM CHARGES IN THE OXIDE COATING (1968) (135)
- Distribution of tetrahedral and octahedral A1 sites in gamma alumina (1997) (133)
- Inter-layer interactions and the origin of SiC polytypes (1988) (132)
- The crystal structures of the elements: pseudopotential theory revisited (1983) (132)
- The Preference of Silicon Carbide for Growth in the Metastable Cubic Form (1991) (122)
- Geometrical Origin and Theory of Negative Thermal Expansion in Framework Structures (1999) (117)
- Electronic band structures of the alkali metals and of the noble metals and their α-phase alloys (1958) (111)
- Effect of electron-hole pairs on phonon frequencies in Si related to temperature dependence of band gaps (1976) (107)
- Competition between pairwise and multi-atom forces at noble metal surfaces (1986) (99)
- Hyperfine Structure of Paramagnetic Ions (1957) (99)
- The theory of fluctuations and texture embryos in structural phase transitions mediated by strain (1994) (98)
- Rigid-Unit Modes and the Quantitative Determination of the Flexibility Possessed by Zeolite Frameworks (1998) (98)
- Negative thermal expansion in beta-quartz (1998) (98)
- MODELS FOR TWO-DIMENSIONAL STATIONARY STOCHASTIC PROCESSES (1955) (92)
- Band structure treatment of low energy electron diffraction intensities (1967) (88)
- A pseudopotential total energy study of impurity-promoted intergranular embrittlement (1990) (83)
- Origin of tweed texture in the simulation of a cuprate superconductor (1993) (82)
- Electronic structure of Ca, Sr, and Ba under pressure. (1967) (79)
- The band structure of aluminium III. A self-consistent calculation (1957) (79)
- How Floppy Modes Give Rise to Adsorption Sites in Zeolites (1997) (78)
- Nuclear resonance in solid and liquid metals: A comparison of electronic structures (1959) (76)
- Crush; a Fortran program for the analysis of the rigid-unit mode spectrum of a framework structure (1994) (76)
- The phenomenon of low Al-Si ordering temperatures in aluminosilicate framework structures (1996) (75)
- Some theory about surface states (1964) (74)
- Thermodynamics of Al/Al avoidance in the ordering of Al/Si tetrahedral framework structures (1998) (72)
- Structure of di- and trivalent metals. (1966) (71)
- Rigid unit modes in crystal structures with octahedrally coordinated atoms (1998) (70)
- The theory of the workfunction of caesium suboxides and caesium films (1978) (67)
- Sliding mechanisms in aluminum grain boundaries (1997) (65)
- Theory of local magnetic moments in transition metals (1981) (64)
- Origin of Modulated Incommensurate Phases in Insulators (1981) (61)
- Rigid unit modes and the negative thermal expansion in ZrW2O8 (1997) (60)
- Magnetism in transition metals at finite temperatures: I. Computational model (1982) (60)
- Crystal structure of gallium metal (1968) (58)
- The origin of incommensurate structures in insulators (1984) (57)
- Phase Stability in Transition-Metal Laves Phases (1976) (55)
- Rigid unit modes in the molecular dynamics simulation of quartz and the incommensurate phase transition (1991) (53)
- Theory and computer simulation of tweed texture (1994) (50)
- Dynamics of silica glass: two-level tunnelling states and low-energy floppy modes (2000) (49)
- Direct observation of elastic and plastic deformations at Au(111) surfaces (1984) (48)
- A computational study of Al/Si ordering in cordierite (1996) (48)
- On the application of mean-field and landau theory to displacive phase transitions (1992) (47)
- MANY-BODY EFFECTS IN ELECTRON SCATTERING (1966) (47)
- Atomic relaxation in silicon carbide polytypes (1990) (47)
- Electronic Density of States at Transition-Metal Surfaces (1972) (47)
- Insight into gallium behavior in aluminum grain boundaries from calculation on Σ=11 (113) boundary (2000) (46)
- Annealing of tweed microstructure in high Tc superconductors studied by a computer simulation (1993) (46)
- Scaling of thermodynamic mixing properties in garnet solid solutions (2001) (46)
- Anisotropy of relaxation time in silver-gold alloys (1965) (45)
- Calculated ground-state properties of silicon carbide (1986) (45)
- Confirmation of an ANNNI-Like Model for Polytypism in SiC (1987) (45)
- Rigid unit modes in the high-temperature phase of SiO2 tridymite: calculations and electron diffraction (1996) (44)
- Theory of some physical properties and competing processes in tight-binding bands (1980) (43)
- The band structure of aluminium I. Determination from experimental data (1957) (43)
- Valence transitions in rare-earth chalcogenides (1975) (43)
- Theory of the isotope shift for zero-phonon optical transitions at traps in semiconductors (1975) (43)
- On a theory of liquid metals (1964) (42)
- Overview of the origin of tweed texture (1994) (42)
- Magnetic contributions to thermal expansion of transition metals: implications for local moments above Tc (1984) (42)
- The infrared effective charge in IV-VI compounds. I. A simple one-dimensional model (1979) (42)
- Silicon carbide polytypes are equilibrium structures (1990) (41)
- Low Energy Dynamics and Tunneling States in Silica Glass (1998) (41)
- Theory of the surface dipole on nontransition metals (1972) (40)
- Pseudopotentials, the Sizes of Atoms and Their s—p Splittings (1966) (38)
- Anatomy of a structural phase transition: theoretical analysis of the displacive phase transition in quartz and other silicates (1999) (36)
- A computer simulation study of Al/Si ordering in gehlenite and the paradox of the low transition temperature (1994) (36)
- Rigid unit modes and dynamic disorder: SiO2 cristobalite and quartz (1999) (35)
- How Chemistry and Physics Meet in the Solid State (2003) (35)
- Contribution of Core Polarization to the Atomic Hyperfine Structure and Knight Shift of Li and Na (1959) (35)
- Group Theory in Quantum Mechanics: An Introduction to Its Present Usage (1993) (34)
- Computer modelling of Al/Si ordering in sillimanite (1990) (34)
- Distortions of framework structures (1996) (33)
- Contribution of Exchange Polarization of Core Electrons to the Magnetic Field at the Nucleus of Fe (1960) (32)
- What do Landau free energies really look like for structural phase transitions (1989) (32)
- A First-Principle Calculation of the Temperature Dependence of the Indirect Band Gap of Silicon (1989) (32)
- Exotic distributions of rigid unit modes in the reciprocal spaces of framework aluminosilicates (2007) (32)
- Dangling bonds and dislocations in semiconductors. (1966) (32)
- The Ginzburg interval in soft-mode phase transitions: consequences of the rigid unit mode picture (1994) (31)
- Strain coupling as the dominant interaction in structural phase transitions (1995) (30)
- The many-body theory of electrons in metal or has a metal really got a Fermi surface? (1961) (30)
- Quantum mechanics of materials (1982) (28)
- Ab initio calculations on (OH)4 defects in α-quartz (1994) (28)
- Theory of the atomic interactions in (s,p)-bonded metals (1986) (28)
- Photoemission from ferromagnetic metals above the Curie temperature. I. Simple models (1985) (27)
- An aid to the structure analysis of incommensurate phases (1984) (27)
- Structural and electronic properties of SiC polytypes (1993) (26)
- Strain effects, particularly in phase transitions (1996) (26)
- Surface States on d-Band Metals (1970) (26)
- A computational study into the origin of SiC polytypes (1992) (26)
- Comment on Effective Ion-Ion Interactions in Metals (1972) (26)
- The Band Structure of Bismuth (1956) (26)
- The origin of the incommensurate phase III of biphenyl (1985) (26)
- The nature of interplanar interactions in SiC polytypes (1990) (25)
- Different Types of Phase-Shift Pseudopotential with Application to the Alkali Metals and Copper (1972) (25)
- The solubility of [4H]Si defects in α-quartz and their role in the formation of molecular water and related weakening on heating (1995) (24)
- Theory of Cyclotron Resonance in Metals (1957) (24)
- Theory of screening effects on crystalline electric fields in metallic rare earth materials (1979) (24)
- Multi-Atom Bonding in Aluminium over a Wide Range of Coordination Number (1991) (24)
- Pattern formation during phase transitions: kinetics of partially conserved order parameters and the role of gradient energies (1994) (24)
- Simulation studies of at high pressure (1998) (23)
- Insights into zeolite behaviour from the rigid unit mode model (1997) (23)
- Coarse-Grained Magnetic Disorder above Tc in Iron (1988) (23)
- The use of Monte Carlo methods to determine the distribution of Al and Si cations in framework aluminosilicates from 29Si MAS NMR data (1996) (22)
- The incommensurate phase transition of biphenyl (1987) (22)
- Proof of an energy gap in a model of amorphous Ge (1971) (22)
- A rate equation for atomic ordering in mean field theory. II. General considerations (1991) (22)
- On the Origin of Short-Range Order above Tc in Fe, Co, Ni (1990) (21)
- Crystal structure: As weird as they come (2000) (21)
- A new formalism for electron states at surfaces II. application to surface states (1969) (21)
- The effect of electron-electron interactions on the Peierls transition in metals with strong nesting of Fermi surfaces (1981) (21)
- Determination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations (1997) (21)
- Ab initio computational study of Ga in an Al grain boundary (1997) (21)
- A rate equation for atomic ordering in mean field theory: I. Uniform case (1991) (20)
- Electrons at surfaces of solids (1972) (20)
- The structure of barium in the hexagonal close-packed phase under high pressure (1997) (20)
- A simple theory of some phase transitions (1974) (20)
- Strain-related microstructures in materials: A computer simulation study of a simple model (1994) (20)
- Ground state properties of the group IV ionic compound silicon carbide (1985) (19)
- Photoemission from ferromagnetic metals above the Curie temperature. II. Cluster calculations for nickel (1986) (19)
- Many-atom interactions in solids (1991) (19)
- A couple method for calculating interatomic interactions in itinerant electron magnetic systems (1984) (19)
- Paramagnetic Resonance in Gadolinium Sulphate Octohydrate (1954) (18)
- The de Haas-van Alphen Effect in Alloys (1956) (18)
- The resistivity of calcium, strontium and barium under pressure (1967) (18)
- Role of screening in surface ion neutralization. (1966) (18)
- Ab initio databases for fitting and testing interatomic potentials (1996) (17)
- Crossover between displacive and order/disorder behaviour in the Phi 4 model (1992) (17)
- Amorphous silica from the Rigid Unit Mode approach (2000) (17)
- Theory of shear magnetostriction in amorphous and crystalline ferromagnetic metals (1984) (16)
- The structure of the incommensurate modulated phase of NaNO2 (1984) (16)
- Low-qPhonons and the Widths of Low-Energy Electron-Differaction Peaks (1969) (16)
- Energetics of stacking boundaries on the {0001} surfaces of silicon carbide (1997) (16)
- The knight shift in superconductors (1958) (15)
- ELECTRONIC-STRUCTURE MULTICONFIGURATION CALCULATION OF A SMALL CLUSTER EMBEDDED IN A LOCAL-DENSITY APPROXIMATION HOST (1997) (15)
- Metal-insulator transition in transition metal oxides (1971) (15)
- The band structure of aluminium II. The convergence of the orthogonalized plane wave method (1957) (15)
- The incommensurate phase II of biphenyl (1987) (15)
- The thermodynamics of bodies in static electromagnetic fields (1956) (15)
- Magnetism in iron around the Curie temperature: recursion calculations on regular spin configuration, with a full SPD Hamiltonian (1989) (14)
- Theory of the electronic density of states of amorphous tetrahedrally bonded semiconductors (1972) (13)
- Geometrical coupling between inhomogeneous strain fields: Application to fluctuations in ferroelastics (1994) (13)
- Relation between the electronic structure and the condensation of metal clusters in M5X4 compounds (1984) (13)
- Boundary-Boundary Interactions and the Origin of SiC Polytypes (1990) (12)
- A New Theory of Polytypism (1984) (12)
- Bifurcation behaviour in structural phase transitions with multi-well potentials (1990) (12)
- Origin of incommensurate structure in the cooperative Jahn-Teller system K2PbCu(NO2)6 (1982) (11)
- The origin of charge density waves in the 2H-polytypes of the group-V layer compounds (1977) (11)
- SUPERCONDUCTIVITY AND ELECTRONIC PROPERTIES OF Mg--Cd AND SOME hcp Mg ALLOYS. (1972) (11)
- Phase Shifts and Local Charge Neutrality in Semiconductors (1966) (11)
- A microscopic model for a very stable incommensurate modulated mineral: mullite (1993) (11)
- Landau theory revisited (1992) (10)
- Magnitism in Iron at High Temperatures. (1980) (9)
- A new approach to simulating disorder in crystals (1990) (9)
- Atomic ordering around the oxygen vacancies in sillimanite (1992) (9)
- Kinetic rate laws as derived from order parameter theory V: Computer simulations of ordering processes using a soft ising model (1991) (9)
- A theory of the origin of silicon carbide polytypes (1989) (9)
- A database of structural energies of aluminium from ab initio calculations (1994) (9)
- The Role of Volume and Pairwise Forces in the Reconstruction of Noble Metal Surfaces (1986) (8)
- Absence of lock-in transition in some incommensurate materials (1987) (8)
- Grain boundary sliding: An ab initio simulation (1996) (8)
- Short-Range Disorder and Long-Range Order: Implications of the “Rigid Unit Mode” Picture (2002) (8)
- The origin of the gamma incommensurate structure in n-propylammonium tetrachlorometallates (1990) (8)
- Resolution of Ambiguity in Derivation of Pseudopotentials from Phase Shifts (1971) (8)
- The Theory of Electrons at Surfaces (1974) (8)
- A one-parameter model of a rigid-unit structure (1997) (8)
- Correct choice of superspace group for an incommensurate phase transition (1987) (7)
- The fusion of metal clusters in M5X4 compounds (1984) (7)
- Self-consistency in total energy calculations: implications for empirical and semi-empirical schemes (1991) (7)
- The microscopic origin of incommensurate phases on (001) surfaces of Mo and W (1988) (6)
- Deriving the two‐component description of incommensurate structures from the superspace group (1987) (6)
- Volume and Pair Forces in Solids and Liquids (1990) (6)
- Nonpairwise Magnetic Interactions in Fe and Implications for Short-Range Order above Tc (1991) (6)
- Origin of the T 1 + α dependence of the heat capacity of glasses at low temperature (2002) (6)
- Magnetic short-range order in iron above Tc? Statistical mechanics with many-atom interactions (1991) (6)
- Phonon free energy and devil's staircases in the origin of polytypes (1997) (5)
- The energetics of interaction between oxygen vacancies in sillimanite: A model for the mullite structure (1992) (5)
- The non-analytic nature of landau free energies (1990) (5)
- Irreducible Representations of the Full Lorentz Group (1957) (5)
- Electronically induced geometrical catalytic effects (1985) (5)
- The theory of lock-on transitions in modulated structures (1989) (5)
- Analysis of the incommensurately modulated OS phase of SiO2 tridymite (1998) (5)
- The theory of the Pauling–Simon law on lattice constants of close‐packed ordered alloys (1984) (4)
- The symmetry properties of difference Patterson functions (1985) (4)
- Calculation of the optical absorption between surface states of silicon (1974) (4)
- The unrestricted Hartree-Fock method (1963) (4)
- The Origin of Polytypes in SiC and ZnS (1992) (4)
- Cleavage and Shear Stresses in Impurity-Promoted Embrittlement (1989) (4)
- Improved representation of metallic bonding in atomistic simulations (1996) (3)
- Split solitons in the incommensurate and streaked phases of W(001)/H surfaces (1988) (3)
- A 'minimum perturbation' pseudopotential in terms of phase shifts (1971) (3)
- Calculation of longitudinal magnetic fluctuations in iron by a Landau energy and force method (1991) (3)
- Solid State and Molecular Theory: A Scientific Biography (1975) (3)
- Temperature and Strain Rate Effects in Grain Boundary Sliding (1995) (3)
- Computational studies of Si/Al ordering in aluminosilicate tetrahedral framework structures (1997) (3)
- Polarization, structural and electronic properties of SiC polytypes☆ (1994) (3)
- Theory of finite-frequency local field catastrophe with applications to the spectra of KCNx-KCl1-x (1979) (3)
- The Band Theory of Metals (1958) (3)
- On the transport equation for electrons in solids (1962) (2)
- The Microscopic Understanding of Modulated Structures and Polytypes (1988) (2)
- Electron states at surfaces (1975) (2)
- Methods in Computational Physics Vol l0 (1972) (2)
- Electronic structure multiconfiguration calculation of a small cluster embedded in an LDA host (1997) (2)
- Ground-state magnetovolume effects in alloys (1984) (2)
- Partial resonances in the electronic theory of transition metals (1978) (2)
- The Microscopic Mechanisms of Complex Structural Phase Transitions (1988) (2)
- Magnetism in transition metals at finite temperatures. II. Application to the thermodynamic excitations in iron: spin waves and TC (2016) (1)
- CALCULATION OF BAND STRUCTURES AND FERMI SURFACES (1965) (1)
- The Rigid Unit Mode model: review of ideas and applications. (2023) (1)
- Kinetic energy tuning for optimising pseudopotentials and projector reduction (1)
- Features and Applications of the Haydock Recursion Method (1984) (1)
- THE STRUCTURE AND VIBRATIONS OF MOLECULES (1960) (1)
- Science and Politics (1974) (1)
- Computation of Electronic Structure: Its Role in the Development of Solid State Physics (1985) (1)
- Principles of computer simulation (2001) (1)
- The search for periodons (1990) (1)
- Split-soliton modulations in incommensurate phases (1987) (1)
- Pseudopotentials applied to stability of structures. (1967) (1)
- Predicting new solids and their properties. Discussion (1991) (1)
- Ab Initio Investigation of Grain Boundary Sliding (1995) (0)
- THE REPRESENTATIONS OF FINITE GROUPS (1960) (0)
- Calculations of the atomic magnetic moments and short range order in iron at high temperatures (1980) (0)
- Chapter II – THE QUANTUM THEORY OF A FREE ATOM (1960) (0)
- MODELS FOR TWO-DIMENSIONAL STATIONARY (2016) (0)
- The use of Monte Carlo methods to determine the distribution of Al and Si cations in framework aluminosilicates from 29SiMAS NMR data (0)
- Chapter VI – SOLID STATE PHYSICS (1960) (0)
- SYMMETRY TRANSFORMATIONS IN QUANTUM MECHANICS (1960) (0)
- An issue dedicated to the Ψk Volker Heine Young Investigator Award* (2016) (0)
- The structure of di-valent and tri-valent metals (1966) (0)
- Pseudopotentials and the Theory of High T c Superconductivity: Discussion (1991) (0)
- Interaction of oxygen atoms chemisorbed on Ni(001) (1983) (0)
- Condensed matter physics (1982) (0)
- Electronic Structure Computations (1983) (0)
- Two-level tunneling states and floppy modes in silica glass (2001) (0)
- Some thoughts about Jürgen Hafner's work in computational materials science (2011) (0)
- FURTHER ASPECTS OF THE THEORY OF FREE ATOMS AND IONS (1960) (0)
- New Light on Magnetic Contributions to the Thermal Expansion of Transition Metal Magnets (1981) (0)
- An issue dedicated to the Ψk Volker Heine Young Investigator Award* (2016) (0)
- Solid State Science: Past, Present and Predicted (1987) (0)
- The determination of the band structure of metals (1956) (0)
- Bonding and interaction of oxygen atoms on nickel (001) from self-consistent electronic structure (1985) (0)
- How to Use Groups (1970) (0)
- Frozen phonons in silicon carbide and shell-model-interpolation, and extrapolation (1989) (0)
- RELATIVISTIC QUANTUM MECHANICS (1960) (0)
- Electronic Structure of Metals, Chapter I (1966) (0)
- Philip W Anderson (1977) (0)
- Determining Skewness in Atomic Probability Density Functions for Non-centrosymmetric Structures (2001) (0)
- STRUCTURE OF DI-VALENT AND TRIVALENT METALS. (1967) (0)
- The Role of Electronic Structure Computations in the Advancement of Solid State Physics (1984) (0)
- Chapter VII – NUCLEAR PHYSICS (1960) (0)
- The Physical Mechanisms Leading to Incommensurate Phases (1983) (0)
- CCP 1 / CCP 5 WORKSHOP ` Modelling of Localised States in Condensed Matter (2007) (0)
- New Vistas for First-Principles Simulation (1999) (0)
- Surface Science: Semiconductor Surfaces . A. Many, Y. Goldstein, and N. B. Grover. North-Holland, Amsterdam; Interscience (Wiley), New York, 1965. 512 pp., illus. $17.50. (1966) (0)
- Theory of surface ion neutralization (1966) (0)
- Density functionals beyond the local approximation. Discussion (1991) (0)
- The incommensurate γ phase of n-propylammonium tetrachlorometallates (1990) (0)
- Local orbital analysis of the bonding of oxygen atoms on nickel (001) from self-consistent electronic structure (1985) (0)
- Electrons navigate disordered media (2005) (0)
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