Alfonso Baldereschi
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Physics
Alfonso Baldereschi's Degrees
- PhD Physics University of California, Berkeley
- Masters Physics Stanford University
Why Is Alfonso Baldereschi Influential?
(Suggest an Edit or Addition)Alfonso Baldereschi'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
- Mean-Value Point in the Brillouin Zone (1973) (506)
- Spherical Model of Shallow Acceptor States in Semiconductors (1973) (446)
- sp(2)/sp(3) hybridization ratio in amorphous carbon from C 1s core-level shifts: X-ray photoelectron spectroscopy and first-principles calculation (2001) (300)
- Band engineering at interfaces : Theory and numerical experiments (1998) (235)
- Cubic contributions to the spherical model of shallow acceptor states (1974) (233)
- Prediction of electronic interlayer states in graphite and reinterpretation of alkali bands in graphite intercalation compounds (1983) (220)
- Energy Levels of Direct Excitons in Semiconductors with Degenerate Bands (1971) (202)
- Deriving accurate work functions from thin-slab calculations (1999) (160)
- Carbon dioxide hydrogenation on Ni(110). (2008) (133)
- Local work function Moiré pattern on ultrathin ionic films: NaCl on Ag(100) (2005) (118)
- Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide (2010) (103)
- Prediction of electronic surface states in layered materials: graphite (1984) (98)
- Binding to Isoelectronic Impurities in Semiconductors (1972) (81)
- Interpretation of acceptor spectra in semiconductors (1978) (78)
- Angular Momentum Theory and Localized States in Solids. Investigation of Shallow Acceptor States in Semiconductors (1970) (76)
- Band structure and instability of Ge1−xSnx alloys (1989) (73)
- Oxidation States of Mn Atoms at Clean and Al2O3-Covered LiMn2O4(001) Surfaces (2010) (63)
- Quasiparticle energy bands of transition-metal oxides within a model GW scheme (1997) (63)
- Anisotropy of excitons in semiconductors (1970) (59)
- Density-functional perturbation theory for lattice dynamics with ultrasoft pseudopotentials (1997) (59)
- Valley-Orbit Interaction in Semiconductors (1970) (59)
- Noncubic Behavior of Antiferromagnetic Transition-Metal Monoxides with the Rocksalt Structure (1999) (58)
- Theory of isoelectronic traps (1973) (56)
- Mean-value point and dielectric properties of semiconductors and insulators (1978) (55)
- Central cell effects on acceptor spectra in Si and Ge (1980) (53)
- Energy band structure of AlxGa1-xAs (1977) (52)
- Supramolecular self-assembly driven by electrostatic repulsion: The 1D aggregation of rubrene pentagons on Au111. (2010) (51)
- Band-offset trends in nitride heterojunctions (2001) (49)
- Interaction of carbon dioxide with Ni(110): a combined experimental and theoretical study (2007) (47)
- Work-function anisotropy in noble metals: Contributions from d states and effects of the surface atomic structure (2000) (44)
- Band structure of semiconductor alloys beyond the virtual crystal approximation. effect of compositional disorder on the energy gaps in GaPxAs1−x (1975) (42)
- The isoelectronic trap iodine in AgBr (1979) (41)
- Adatom-vacancy mechanisms for the C6)/Al111-(6 x 6) reconstruction. (2003) (39)
- Dielectric matrices and local fields in polar semiconductors (1981) (39)
- Tight-binding study of the electronic states in GaSe polytypes (1979) (38)
- ANOMALY IN THE ANISOTROPY OF THE ALUMINUM WORK FUNCTION (1998) (38)
- Supramolecular self-assembly and selective step decoration on the Au(111) surface (2001) (37)
- Schottky barrier heights at polar metal/semiconductor interfaces (2003) (36)
- Dissociation of Water on Anatase TiO2 Nanoparticles: the Role of Undercoordinated Ti Atoms at Edges (2009) (36)
- Imaging and characterization of activated CO2 species on Ni(110) (2010) (34)
- STRUCTURAL AND ELECTRONIC PROPERTIES OF GA2SE3 (1998) (32)
- Theoretical maps of work-function anisotropies (2001) (32)
- Dielectric band structure of solids (1979) (31)
- Hard-core pseudopotentials and structural maps of solids (1979) (31)
- CO adsorbed on Cu(001): A comparison between local density approximation and Perdew, Burke, and Ernezerhof generalized gradient approximation (2001) (30)
- Computation of the Stark effect in P impurity states in silicon (2006) (30)
- Work functions at facet edges. (2002) (29)
- Steering the Chemistry of Carbon Oxides on a NiCu Catalyst (2013) (28)
- Maximally localized Wannier functions in antiferromagnetic MnO within the FLAPW formalism (2002) (26)
- Electronic properties of the layer semiconductor InSe (1978) (25)
- Structural models of amorphous carbon surfaces (1999) (25)
- Can We Tune the Band Offset at Semiconductor Heterojunctions (1989) (25)
- Born charge differences ofTiO2polytypes: Multipole expansion of Wannier charge densities (2004) (24)
- NON-NOMINAL VALUE OF THE DYNAMICAL EFFECTIVE CHARGE IN ALKALINE-EARTH OXIDES (1997) (23)
- Microscopic Manipulation of Homojunction Band Lineups (1992) (20)
- Influence of surface morphology on the Si(100) and (111) ionization potentials (2001) (20)
- Theory of magnetic field effects on critical points (1973) (20)
- Acceptorlike ExcitedSStates of Excitons Bound to Nitrogen Pairs in GaP (1975) (20)
- Semiempirical self-energy corrections to LDA bands of semiconductors, and a scaling law for the scissor operator (1992) (20)
- Electronic properties of the defect-zincblende semiconductor CdIn4Se4 (1977) (19)
- Band discontinuities in zinc-blende and wurtzite AlN/SiC heterostructures (1997) (19)
- Local interface dipoles and the tuning of the Al/GaAs(100) Schottky-barrier height with ultrathin Si interlayers (1996) (19)
- Transition from Mn(4+) to Mn(3+) induced by surface reconstruction at λ-MnO(2)(001). (2010) (18)
- Effects of cation order on the energy bands of GaAs-AlAs heterostructures (1978) (18)
- Floating bonds and gap states in a-Si and a-Si:H from first principles calculations (1999) (17)
- AB INITIO STUDY OF THE DIELECTRIC PROPERTIES OF SILICON AND GALLIUM ARSENIDE USING POLARIZED WANNIER FUNCTIONS (1998) (17)
- First-principles study of γ-Al2O3 (100) surface (2009) (17)
- Theory of band offsets at semiconductor heterojunctions: An ab-initio linear response approach (1989) (17)
- Effect of Uniaxial Stress on the Binding to Isoelectronic Impurities in GaP (1972) (17)
- Local-field effects and zone-center phonons in Si, Ge, GaAs, and ZnSe (1981) (17)
- First-principles study of {gamma}-Al{sub 2}O{sub 3} (100) surface (2009) (16)
- Surface morphology and ionization potentials of polar semiconductors: The case of GaAs (2004) (15)
- Spin polarization and band alignments at NiMnSb/GaAs interface (2005) (15)
- Landau Levels and Magneto-Optic Effects at Saddle Points (1967) (15)
- Calculations of2p-Exciton States in Semiconductors with Degenerate Bands (1972) (15)
- First-principle study of C 1s core-level shifts in amorphous carbon (2001) (15)
- Ab initio study of CO adsorption on Ni(110): Effects on surface magnetism at low coverage (2001) (15)
- Indented barrier resonant tunneling rectifiers (1996) (14)
- Schottky barrier tuning at Al/GaAs(100) junctions (1996) (14)
- POLARIZED-LIGHT PHOTOELECTRON SPECTROSCOPY OF GASE AND GAS WITH SYNCHROTRON RADIATION. (1976) (14)
- Wannier functions and Born charge tensors of brookiteTiO2 (2006) (14)
- STRUCTURAL AND COMPOSITIONAL DEPENDENCES OF THE SCHOTTKY BARRIER IN AL/GA1-XALXAS(100) AND (110) JUNCTIONS (1999) (14)
- Direct Exciton Spectrum in Diamond and Zinc-Blende Semiconductors (1970) (14)
- Prediction of line intensities and interpretation of acceptor spectra in semiconductors (1988) (14)
- Internal Photoemission-Studies of Artificial Band Discontinuities at Buried Gaas(100) Gaas(100) Homojunctions (1994) (13)
- Work functions and surface charges at metallic facet edges (2002) (13)
- Formation energy, lattice relaxation, and electronic structure of A l / S i / G a A s ( 100 ) junctions (1998) (13)
- X-ray photoelectron spectrum and two-dimensional band structure of InSe (1977) (13)
- Renormalized orbital radii (1978) (12)
- Interface states at ZnSe/Ge heterojunctions: the role of atomic interdiffusion and disorder (2002) (12)
- Tailoring bimetallic alloy surface properties by kinetic control of self-diffusion processes at the nanoscale. (2012) (11)
- Effect of carbon adsorption on the isomer stability of Ir4 clusters. (2007) (11)
- CO on Supported Cu Nanoclusters: Coverage and Finite Size Contributions to the Formation of Carbide via the Boudouard Process (2015) (11)
- Thomas-Fermi Approximation for the Valence Electron Densities in Cubic Semiconductors and Insulators (1981) (10)
- Substrate-induced supramolecular ordering of functional molecules: theoretical modelling and STM investigation of the PEBA/Ag(1 1 1) system (2004) (10)
- Spontaneous polarization from first-principles: Pyroelectric BeO (1990) (10)
- Bonding nature of conduction states in electron-deficient semiconductors: Mg2Si (1983) (10)
- Microscopic local fields in dielectrics (1979) (9)
- Excess elastic energy and the instability of (GaAs)1(InAs)1(0 0 1), Ga3InAs4, GaIn3As4 and Ga1−xInxAs alloys (1988) (9)
- Atomic scale structure of ionic and semiconducting solid solutions (1993) (9)
- Polytypism and layer-layer interaction in the III–VI layer semiconductors (1981) (9)
- Adsorption geometry of benzene on Pd(110): Results of first-principles calculations (2000) (8)
- Linear and nonlinear electronic response to valence modifications in covalent and ionic crystals (1983) (8)
- Wannier functions characterization of floating bonds in a-Si (1999) (8)
- Binding energy of shallow acceptors in group IV elements and III V compounds (1976) (8)
- Ideal unreactive metal/semiconductor interfaces: The case of Zn/ZnSe(001) (2001) (8)
- Structural and electronic properties of wide band gap Zn1-xMgxSe alloys (2004) (7)
- Al/ZnSe(100) Schottky-barrier height versus initial ZnSe surface reconstruction (1998) (7)
- Interband near-infrared second-harmonic generation with very large |χ(2)(2ω)| in AlSb/GaSb-InAsSb/AlSb asymmetric quantum wells (1993) (7)
- Effect of internal excitations of polarons on magneto-optical absorption and cyclotron resonance in polar crystals (1973) (7)
- Self-seeded nucleation of Cu nanoclusters on Al2O3/Ni3Al(111): an ab initio investigation. (2014) (7)
- Electron-density distribution in diamond, silicon and germanium under high pressure (1985) (7)
- Structural Models of Amorphous Carbon and its Surfaces by Tight-Binding Molecular Dynamics (1999) (7)
- The electronic structure of deep SP-bonded acceptor impurities in semiconductors (1981) (7)
- Electronic charge density and internal crystallographic distortion in the chalcopyrite ZnGeAs2 (1983) (6)
- Optical-gap reduction in the ordered phases of GaInAs solid solution (1989) (6)
- Crystallographic Distortion and the Interpretation of the UPS Spectrum in α-CdIn2Se4 (1980) (6)
- Valence‐band offset at the Si/GaP (110) interface (1996) (6)
- On the compressed-ion model of cohesion in alkali halides (1985) (6)
- Role of Adsorbed H, C, O, and CO on the Atomic Structure of Free and MgO(100)-Supported Ir4 Clusters: An ab Initio Study (2010) (6)
- Enhancing Hydrophilicity of Anatase TiO2 Surfaces by Deposition of Alkaline Earths: The Case of Ca (2013) (5)
- Atomic-scale structure of alkali halide solid solutions (1987) (5)
- First-Principles Theory of Polarization in Ferroelectrics (1992) (5)
- Current rectification through a single-barrier resonant tunneling quantum structure (1995) (5)
- Ab initio Studies of Structural and Electronic Properties (2008) (5)
- Random pseudobinary ionic alloys: lattice energy and structural properties (1997) (5)
- Inhomogeneous and temperature-dependent p-InGaAs/n-InP band offset modification by silicon δ doping: An internal photoemission study (1995) (5)
- Optical properties of ultrathin GaAs layers embedded in AlxGa1-xAs (1998) (5)
- Electronic Properties of the Intermetallic Semiconductor CsAu (1981) (5)
- Towards optimal seeding for the synthesis of ordered nanoparticle arrays on alumina/Ni₃Al(111). (2015) (5)
- Pseudopotential Calculation of the Electronic Valence Charge Density and the Optical Dielectric Constant of NaCl and MgO (1976) (5)
- Rydberg series of valence and core excited inert-gas atoms: Effects of electron relaxation (1981) (5)
- Existence of localized interface states in metal/GaAs(100) junctions: Au versus Al contacts (2000) (4)
- Interlayer states and chemical bonds in hexagonal CaGa2 (1988) (4)
- Electronic properties of MgIn2S4 and CdIn2S4 by the self-consistent pseudopotential method (1983) (4)
- Role of structural and chemical contributions to valence‐band offsets at strained‐layer heterojunctions: The GaAs/GaP (001) case (1996) (4)
- The physics of latent image formation in silver halides : proceedings of an international symposium, Trieste, Italy, July 11-14, 1983 (1984) (4)
- Madelung energy of the wigner crystal on lattices with non-equivalent sites (1992) (4)
- Band Offsets In GaN/AlN and AlN/SiC Heterojunctions (1997) (4)
- Magnetic phase transition in strained MnAs compound (2003) (3)
- NEAR-BAND-EDGE RESONANT STATES OF ALAS MONOLAYERS EMBEDDED IN BULK GAAS : THE ROLE OF D SYMMETRIES (1998) (3)
- Tetrahedral-site vs hexagonal-site self-interstitial in silicon (1984) (3)
- Dielectric Properties and Lattice Dynamics of Semiconductors (1983) (3)
- The I-V Characteristics of Double-Barrier Stair-Wells (1995) (3)
- Silicon heteroepitaxy: interface structure and physical properties (1991) (3)
- Tunability of the CO adsorption energy on a Ni/Cu surface: Site change and coverage effects. (2017) (3)
- Dielectric Properties and Lattice Dynamics of Semiconductors (1983) (3)
- Intermetallic bonds and midgap interface states at epitaxial Al/GaAs(001) junctions (2003) (3)
- Quantum mechanism of polarization in perovskites (1995) (2)
- Atomic structure and spin magnetism of self-assembled Co nanowires on Pt ( 332 ) (2006) (2)
- LETTER TO THE EDITOR: Neglecting local-field effects in the band-offset problem (1990) (2)
- Interpretation of double acceptor spectra in Ge (1989) (2)
- Local work function around sharp aluminum facet edges (1999) (2)
- Quantum behaviour of muons in crystalline silicon (1990) (2)
- Electronic Properties of Ultrathin Isoelectronic Intralayers in Semiconductors (1991) (2)
- Tuning heterojunction band offsets by interface δ-doping (1993) (2)
- Excitons and Impurities in Magnetic Fields (1980) (2)
- Self-energy corrections in transition metal oxides (1997) (2)
- Coordination defects in a-Si and a-Si:H : a characterization from first principles calculations (1999) (2)
- Atomic number dependent non-local pseudopotentials (1981) (2)
- Migration energy of interstitial ions in Si and Ge (1982) (2)
- Interface-confined ordering at Si/Ge strained heterojunctions (1991) (2)
- Ab initio study of interface states and Schottky barriers at metal contacts to GaN(001) (2005) (2)
- Adsorption of HPO and CaHPO (x=1,…,4) molecules on anatase TiO (001) surfaces (2019) (2)
- Schottky barrier tuning with heterovalent interlayers: Al/Ge/GaAs versus Al/Si/GaAs (2000) (2)
- Relevance of non-linear screening in covalent semiconductors (1981) (1)
- LOCAL-FIELD EFFECTS AND ZONE-CENTER PHONONS IN POLAR AND COVALENT CUBIC SEMICONDUCTORS (1981) (1)
- Structural and Electronic Properties of Monoclinic TiO$_2$ (B) Polymorph (2007) (1)
- Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100) (2010) (1)
- PSEUDOPOTENTIAL CALCULATION FOR THE ELECTRONIC-STRUCTURES OF SUPERLATTICES (1988) (1)
- Electronic properties of KxRb1−xAu , an indirect small gap semiconductor (1982) (1)
- Chapter 2 – Ab initio Studies of Structural and Electronic Properties (2013) (1)
- FREE-ELECTRON INTERLAYER STATES IN PURE AND Li-INTERCALATED GRAPHITE. (1982) (1)
- Shallow Impurity Centers in Semiconductors : proceedings of the Second International conference on Shallow Impurity Centers/Fourth Trieste IUPAP-ICTP Semiconductor Symposium International Centre for Theoretical Physics, Trieste, Italy 28 July-1 August 1986 (1987) (1)
- Acceptor States and Core Shifts in AlxGa1-xAs (1980) (1)
- AB INITIO STUDY OF THE STRUCTURAL AND ELECTRONIC PROPERTIES OF ADSORBATES: CO ON Cu(001) (1997) (1)
- Bond Lengths and Average Lattice Constant of GaxIn1-xAs: A Microscopic Model (1985) (1)
- Electronic properties of isovalent and heterovalent semiconductor interfaces (1989) (1)
- Luminescence of the resonant exciton in GaSxSe1-x (1976) (1)
- Band offsets engineering at semiconductor heterojunctions (1993) (0)
- Microscopic crystallographic properties of semiconductor alloys (1988) (0)
- Polarization, Dynamical Charge, and Bonding in Partly Covalent Polar Insulators (1995) (0)
- Effect of adsorbates on the isomer stability of Ir$_4$ clusters (2009) (0)
- Two-Particle Coulomb Systems in a Magnetic Field (1989) (0)
- Mass dependence of the ground state of charged particles in a silicon crystal (1991) (0)
- Wannier Function Description of the Electronic Properties of Brookite TiO_2. (2004) (0)
- Maximally--localized Wannier Functions in Antiferromagnetic MnO. (2001) (0)
- Electronic Properties of Oating Bonds in A-si and A-si:h (0)
- Relationship between the electronic properties and the crystallographic structure of ternary semiconducting compounds (1984) (0)
- CO Adsorption and Activation on Supported Cu Nanoclusters (2014) (0)
- Crystallographic Distortion and the Interpretation of the UPS Spectrum in α-CdIn_2Se_4 : DEFECT CHALCOPYRITES (1981) (0)
- AB-INITIO STUDY OF THE STRUCTURE OF Pd(110)-c(4×2)-BENZENE (1999) (0)
- Band Offsets at Semiconductor Heterojunctions: Bulk or Interface Properties? (1989) (0)
- Crystallographic and Electronic Properties of the (GaAs)1(InAs)1(001) Superlattice (1988) (0)
- Near-band-edge resonant states of AlAs monolayers embedded in bulk GaAs: the role of d orbitals (1997) (0)
- Hexagonal site interstitial related states in silicon (1988) (0)
- Very large |x(2)(2w)| in the near infrared in AlSb/GaSb-InAsSb/AlSb asymmetric quantum wells (1993) (0)
- Interface-confined ordered compound formation : application to Si/Ge strained heterojunctions (1991) (0)
- Adsorption of water on anatase TiO$_2$ nanoparticles: the role of a wire of undercoordinated Ti sites. (2008) (0)
- Reaction path for dissociative water adsorption on vicinal anatase (101) surface (2009) (0)
- TETRAHEDRAL SITE VERSUS HEXAGONAL SITE SELFINTERSTITIAL IN SILICON (1983) (0)
- Numerical investigation of Schottky barriers at A1/GaA1As interfaces (1999) (0)
- Epitaxial electronic materials : proceedings of the International School on Technology, Characterization and Properties of Epitaxial Electronic Materials, 13-24 January 1986, Miramare, Trieste, Italy (1988) (0)
- Midgap interface states at epitaxial Al/AlAs(001) heterojunctions (2003) (0)
- Influence of electronic relaxation on core and valence excited states of alkaline-earth atoms (1982) (0)
- LOCAL FIELDS IN GROUP IV SEMICONDUCTORS, MgO AND NaCl. (1979) (0)
- Engineering of Semiconductor Heterostructures by Ultrathin Control Layers (1993) (0)
- Photoluminescence in highly excited GaSe (1976) (0)
- Using Massively Parallel Computing to Model Molecular Adsorption and Self Assembly on Noble Metal Surfaces (2002) (0)
- Binding to Chemical Impurities in Semiconductors (1974) (0)
- Structural and Electronic Properties of Magnesium Hydride Surfaces. (2005) (0)
- Calculation of Born Effective Charges in Mixed Ionic/Covalent Materials: The Case of Alkaline--Earth Oxides. (1997) (0)
- Energy band structure of Al,Ga, -,As (1977) (0)
- Wannier Function Study of the Anomalous Pressure Behavior of the Born Effective Charge of MgO. (2002) (0)
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