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Professor G. P. Srivastava publications by Srivastava, G.P.Up to the index or back to Professor G. P. Srivastava publications by Srivastava, andGP (2 publications).
`Thermal conduction in nonmetals' of Materials Self-organized Bi lines on the Si(001) surface: A theoretical study Life time of nonequilibrium zone-centre longitudinal optical phonons in zinc-blende materials A study of structural and dynamical properties of a monolayer GaAs on Si(110) Structural and dynamical properties of As overlayers on the GaAs(110) surface First-principles study of adsorption of PH3 on Ge(001) and Si(001)surfaces Phonons on III-N(110) surfaces Surface passivation by dissociative molecular adsorption Adsorption of GeH2 on the bare and hydrogenated Ge(001) surfaces Phonons on GaN(110) First-principles study of structural and dynamical properties of As overlayers on InP(110) Ab initio study of the Self-Organised Bi-Lines on the Si(001) Surface Segregation and non-segregation of Ge for H(Cl):Si(001)/Ge(2×1) and H(Cl):Si(001)/Ge(3×1) Ab initio study of the adsorption and desorption of Se on the Si(001) surface Ab initio study of the adsorption of In on the Si(001)-(2×2) surface Comparative study of the adsorption of C2H4 on the Si(001) and Ge(001) surfaces Vibrational properties of the Sb:InP(110) surfaces Vibrational properties of the As deposited InP(110) surface Lattice dynamics of the zinc-blende and wurtzite phases of nitrides Acetylene adsorption on the Si(001) surface Structural and dynamical properties of As overlayers on the GaAs(110) surface Ab initio study of the one-monolayer Sb/Si(001) interface Theoretical study of dangling-bond wires on the H-terminated Si surface Adsorption of Te on Ge(001) Bi covered Si(111) surface revisited Ab initio study of the GaAs(001)-In(4×2) surface Structural and dynamical properties of the Ge(001)/Sb(2x1) Ab initio determination of structural and dynamical properties of theInP(110)-S interface Structural, electronic and dynamical properties of the C(001)-(2x1) surface Ab initio study of the adsorption of In on the Ge(001) surface Ab initio study of the one-monolayer Sb/Ge(001) interface Progress in theoretical studies of surface phonons Phonon dispersion curves for the AlP(110) surface Electronic and dynamical properties of Be2B First-principles study of phonon spectrum of BeS and BeSe Lifetime of phonons in zincblende and wurtzite semiconductors Lattice Dynamics of Ultrasmall Silicon Nanostructures Atomic-scale theoretical investigations of compound semiconductor surfaces Ab initio calculation of the ground-state properties of CoSi2 Ab initio surface reaction energetics of SiH4 and Si2H6 on Si(001)-(2x2) Maleic anhydride adsorption on silicon (001) The equilibrium geometry and electronic structure of Bi nanolines on clean and hydrogenated Si(001) surfaces Investigations of atomic vibrations on the alpha-Sn(001)(2x1) surface by a linear response scheme and an adiabatic bond-charge model Electronic Structure of the GaAs(114)A--(2x1) and GaAs(114)B--(2x1) Surfaces Ab initio surface reaction energetics of H_2X (X=O or S) on Si(001)-(2x1) Structural and dynamical properties of the zinc-blende GaN, AlN, BN and their (110) surfaces Lattice Thermal Conduction Mechanism in Solids Electronic structure, phonons and electron-phonon interaction in MgXNi_3 (X=B, C and N) Composition and strain dependence of the piezoelectric coefficients in In_xGa_{1-x}As alloys Theoretical examination of whether phonon dispersion in Nb3Sn is anomalous In nanolines and nanoclusters on self--assembled Bi--lines Size and Temperature Dependence of the Specific Heat Capacity of Carbon Nanotubes Ground state properties of arsenic deposited on the Ge(001)(2x1) surface Ab initio calculations and dynamical properties of the Se:InP(110) and Te:InP(110) Atomic vibrational modes on GaAs(001)-beta_2(2x4) Theoretical study of the structural, electronic and dynamical properties of rocksalt ScN and GaN Ab initio calculation of the structural and dynamical properties of the zinc-blende BN and its (110) surface First-principles studies of ground-state and dynamical properties of MgS, MgSe and MgTe in the rocksalt, zinc blende, wurtzite and nickel arsenide phases Quantitative estimate of phonon scattering rates in different forms of diamond Composition and strain dependence of the piezoelectric coefficients in semiconductor alloys Theoretical studies of electronic structure, phonon spectrum and electron-phonon interaction in AlCN3 Structural, electronic and lattice dynamical properties of the BeS(110) surface Drop and recovery of thermal conductivity of AlN upon UV irradiation Low-temperature mean-free path of phonons in carbon nanotubes Theoretical investigations of phonon intrinsic mean free path in zincblende and wurtzite AlN A theoretical study of Fe adsorption along Bi--nanolines on the H/Si(001) surface Ab initio calculations of structural, electronic and dynamical properties of BeSe(110) surface Theoretical studies of electronic states and phonon modes on the TiC(001)(1x1) surface A theoretical study of Ge adsorption on Si(001) covered with Bi nanolines Phonon spectrum and density of states on GaAs(001)-beta_2(2 x 4) Ab initio investigations of phonon anomalies and superconductivity in the rock-salt YS Frequency and temperature dependence of anharmonic phonon relaxation rate in carbon nanotubes Ab initio determination of structural and dynamical properties of Mg2Sn Optical excitation of a coherent TO phonon in a crystalline Zr metal film Temperature dependence of the thermal conductivity of different forms of diamond Electronic, elastic and phonon properties of the rock-salt LaSb and YSb Phonon intrinsic mean free path in zincblende AlN Ground state properties of zinc-blende and wurtzite phases of MgS Structural and electronic properties of zinc blende BeTe and its (110) surface Non-equilibrium optical phonon dynamics in bulk and low-dimensional semiconductors Hypersonic modes in nanophononic semiconductors Electronic structure and lattice dynamical properties of different tetragonal phases of BiFeO3 Ground state, phonon spectrum, and superconducting properties of non-oxide perovskite CdCNi3 Ab initio investigations of the phonon anomaly and superconductivity in fcc La Iron silicide wires patterned by Bi--nanolines on the H/Si(001) surface: Spin density functional calculation Nanolines on silicon surfaces [Review Article] Structure of the GaP(001)-4x2-In surface investigated with LEED, STM, photoelectron spectroscopy, and ab initio calculation Role of additives in enhancing the thermal conductivity of AlN ceramics Theoretical investigation of Mn adsorbates aside self-organised Bi nanolines on hydrogenated Si(001) surface Ca-induced intermediate reconstructions on the Si(111) surface Quenching of local magnetic moment in oxygen adsorbed graphene nanoribbons Electronic structure and zone-centre phonon modes in multiferroic bulk BiFeO_3 Thermal Conductivity of single crystal and ceramic AlN Origin of the hot phonon effect in group-III nitrides Ab initio calculations of the electronic and phonon states on the HfC(001)-(1$\times$1) surface Ab initio calculations of the structure, electronic states and phonon dispersion of the BSb(110) surface Gradual changes in the electronic properties from graphene to graphite: first-principles calculations Graphene to graphite: electronic changes within DFT calculations An ab initio study of electronic and structural properties of Mn in GaAs environment Bidentate chemisorption of acetic acid on a Si(001)-(2x1) surface: Experimental and theoretical investigations Ab initio study of thiophene chemisorption on Si(111)-(7x7) Anharmonic lifetime of phonons in nanophononic semiconductor Theory of Thermal Conductivity of Micro- and Nano-structured Materials Theoretical studies of SiC, AlN and their (110) surfaces Tunability of the piezoelectric fields in strained III-V semiconductors Self-assembled Bi nanolines on the InAs(100) surface: a theoretical study Atomic Theory of Phononic Gaps in Nano-patterned Semiconductors Ab initio calculation of phonons for bulk TiC and the TiC(001)(1x1) surface Theoretical modelling of surface phonons Electronic and phonon properties of BX(110)(X=P,As and Sb) and BeY(110) (Y=S,Se and Te) surfaces Anharmonic phonon decay rate in group-III nitrides Quantitative study of the enhancement of the thermal conductivity of AlN ceramics by nano-scale processing Ab initio calculations of phonon dispersion relations for bulk and (110) surface of cubic InN A comparative study of clean and Bi-induced (2x4) reconstruction on the InP(001) surface Response to Comment on ``Electronic structure and zone-center phonon modes in multiferroic bulk BiFeO$_3$'' [J. Appl. Phys. 105, 036108 (2009)] Structural, elastic, electronic and phonon properties of zinc-blende and wurtzite BeO Electronic structure, phonons and electron-phonon interaction in Mo_3Si Theory of interface scattering of phonons in superlattices Atomic and electronic structure of S-terminated GaAs(001) Surface The Role of a Precursor State in Thiophene Chemisorption on Si(111)-7x7 Structural and Electronic Properties of H-Passivated Graphene Structural, electronic, and magnetic properties of pristine and oxygen-adsorbed graphene nanoribbons Theory of the lattice thermal conductivity in bulk and films of GaN Phonons and superconductivity in face centered cubic and double-hexagonal closed packed lanthanum Ground state, phonon spectrum, and superconducting properties of the cubic inverse perovskite Sc3AlN Phononic gaps in thin semiconductor superlattices Graphene and graphene nanoribbon on InAs(110) and Au/InAs(110) surfaces: an Ab initio study Templating an organic layer with the Silicon surface reconstruction using steric constraints Lattice dynamics and thermal properties of phononic semiconductors Formation of atomic gold chain on a Si(110) surface: A density functional investigation Theory of phonon conductivity of semiconductor superlattices Templating an organic array with Si(111)-7x7 First-principles investigations of low coverage Ca-induced reconstructions on the Si(001) surface Ab initio calculation of the phonons in bulk HfC and the HfC(001)(1x1) surface Phonons and superconductivity in the cubic perovskite Cr_3RhN Ab initio Investigation of Electronic Properties of Graphene on InAs(111)A Electrons, phonons, and superconductivity in rocksalt and tungsten-carbide phases of CrC A Detailed Calculation of the Thermoelectric Figure of Merit in an n-doped SiGe Alloy Phonon conductivity in graphene Theoretical analysis of semiconductor surface passivation by adsorption of alkaline-earth metals and chalcogens Ab-initio studies of electronic and optical properties of graphene and graphene-BN interface Inhibiting molecular array formation on Si(111)-7x7 using site-selective Ge/Si exchange Thermoelectric Properties of n-type Bi_2(Te_{0.85}Se_{0.15})_3 Single Crystal Doped with CuBr and SbI_3 First-principles study of electronic and dynamical properties of the TaC(001) surface The role of three-phonon Normal processes in the thermal conductivity of graphene A Detailed Theoretical Study of the Thermal Conductivity of Bi_2(Te_{0.85}Se_{0.15})_3 Single Crystals Energy band gap modification of graphene deposited on a multilayer hexagonal boron nitride substrate An Extensive Theoretical Study of the Phonon Conductivity and Thermoelectric Properties of SiGe Alloys Using Steric Constraints to Template an Organic Array on Si(111)-7x7 Surface Phonons on the NbC(001) and TaC(001) surfaces Electronic, vibrational, superconducting and thermodynamic properties of cubic antiperovskite ZnNNi3 Thinning down of thermal conductivity in ultrashort period superlattices Theoretical examination of superconductivity in the cubic antiperovskite Cr3GaN under pressure Detailed Theoretical Investigation and Comparison of the Thermal Conductivities of n- and p-type Bi$_2$Te$_3$ Based Alloys Atomic and Electronic Structure of Multilayer Graphene on a Monolayer Hexagonal Boron Nitride Progressive structural and electronic properties of nano-structured carbon atomic chains Thermal conductivity of graphene and graphite Thermoelectric properties of p-type (Bi2Te3)x(Sb2Te3)1\u2212x single crystals doped with 3wt. % Te Effects of atomic relaxation on phonon dispersion relations and thermal properties of ultrathin (Si)_n(Ge)_n[001] superlattices Theory of interface and anharmonic phonon interactions in nanocomposite materials Ground state, phonon spectrum, and superconducting properties of the cubic inverse perovskite CuNNi_3 Anharmonic effects in the thermoelectric properties of PbTe Phonon anomalies and superconductivity in the Heusler Compound YPd_2Sn Ab initio investigation of the passivation effect of the acrylonitrile molecule on the Si(100)-(2x1) surface Thermoelectric Properties of Bi2$Se3/Bi2Te3/Bi2Se3 and Sb2Te3/Bi2Te3/Sb2Te3 Quantum Well Systems Tuning phonon properties to enhance the thermoelectric figure of merit Excitation and detection of coherent optical phonon modes in epitaxial cubic Ge2Sb2Te5 thin films of different crystallographic orientation A Theoretical study of the Thermoelectric Transport Coefficients of n-type PbTe Effect of Tensile Strain on Thermal Properties of Graphene Evolution of thermal properties from graphine to graphite Origin of superconductivity in layered centrosymmetric LaNiGa2 Physical properties of the cubic spinel LiMn2O4 Ab initio investigation of surface phonons on the (001) surface acroread of ZrC Electron-phonon interaction and superconductivity in SnAs with the sodium chloride crystal structure Ab initio investigation of BCS-type superconductivity in LuNi_2B_2C-type superconductors Ab initio investigation of superconductivity in noncentrosymmetric Ca3Ir4Ge4 Three-phonon scattering processes and thermal conductivity in IV-chalocogenides Electron-phonon interaction and Superconductivity in hexagonal BaSn5 Ab initio investigation of surface phonons on the (001) surface of KCl A comparative ab initio study of superconductivity in the body centered tetragonal YC2 and LaC2 Identification of specific phonon contributions in BCS-type superconductivity of boride-carbide crystals with a layer-like structure Tuning phonon properties in thermoelectric materials Coherent phonon modes of Crystalline and Amorphous Ge2Sb2Te5 thin films: a fingerprint of structure and bonding Electron-phonon superconductivity in the ternary phosphides BaM_2P_2 (M = Ni, Rh and Ir) Lattice thermal conduction in ultra-thin nanocomposites First-principles investigation of superconductivity in the body-centred tetragonal LaRu2P2 The effect of spin orbit interaction for superconductivity in the noncentrosymmetric superconductor CaIrSi_3 Theoretical investigation of superconductivity in SrAuSi3 and SrAu2Si2 Theoretical investigation of superconductivity in ternary silicide NaAlSi with layered diamond-like structure Ab initio} investigation of superconductivity in orthorhombic MgPtSi Size and dimensionality dependent phonon conductivity in nanocomposites Theoretical investigation of superconductivity in SrPd_2Ge_2, SrPd_2As_2 and CaPd_2As_2 Ab initio calculations of surface phonons of the hydrogen-terminated Si(110)-(1x1) surface Thermal Conduction in Nonmetals Anharmonic, dimensionality and size effects in phonon transport Effects of spin-orbit coupling on the electron-phonon superconductivity in the cubic Laves CaIr2 and CaRh2 Electron-phonon interaction and superconductivity in the borocarbide superconductor ScNi2B2C Electron-phonon superconductivity in the filled skutterudites LaRu4P12, LaRu4As12 and LaPt4Ge12 Physical properties of the body-centered tetragonal CaPd_2Ge_2 The effect of spin orbit interaction on the physical properties of LaTSi_3(T = Ir, Pd and Rh): First-principles calculations The influence of spin orbit interaction on phonons and superconductivity in the noncentrosymmetric superconductors LaPt_3Si and LaPtSi_3 Electron-phonon interaction and superconductivity in the multiband superconductor beta--Bi2Pd Electron-phonon interaction and superconductivity in La_3Ni_2B_2N_3 Ab initio investigation of electron-phonon interaction in LaSn3 and CaSn3 Anisotropic thermal conduction in transition metal dichalcogenide nanocomposites with rough interfaces Extension of the modified effective medium approach to nanocomposites with anisotropic thermal conductivities Temperature-dependent Raman linewidths in transition-metal dichalcogenides Role of spin orbit coupling on the physical properties of LaX3 (X = In, P, Bi) superconductors Control of thermal conductivity with species mass in transition-metal dichalcogenides The effect of martensitic phase transition from cubic to tetragonal on the physical properties of V3Si superconductor Investigating the normal state and superconducting state properties of orthorhombic and hexagonal ZrRuP: A first-principles study Physical properties of hexagonal BaPtAs with noncentrosymmetric SrPtSb-type and centrosymmetric YPtAs-type crystal structures: Effects of the spin-orbit coupling Theoretical investigation of superconduductivity mechanism in the filled skutterudites YRu4 P12 , YOs4 P12 , LaOs4 P12 and LaOs4 As12 Theoretical investigation of antisymmetric spin-orbit coupling effect on the physical properties of noncentrosymmetric BaPtSb superconductor Ab initio investigation of spin orbit coupling effect on the physical properties of IrGe superconductor Mode confinement, interface mass-smudging, and sample length effects on phonon transport in thin nanocomposite superlattices Theoretical investigation of superconductivity in the noncentrosymmetric SrPtGe3 and CaPtSi3 compounds Dirac and Weyl semimetals in Sn_{1-x}In_{x}Te First-principles calculations of physical properties and superconductivity of orthorhombic ScRuSi and ZrRhSi Adsorption of S on Si(111) with M_4x4 superstructure Probing physical properties and superconductivity of noncentrosymmetric superconductors LaPtGe and LaPtGe3 : A first-principles study Quantum-well states for uniform Ag layers on the Ga-induced Si(111)--(R3xR3)R30 surface The effect of spin-orbit interaction on superconductivity in the filled skutterudites MPt4Ge12 (M=Ba, Sr and Th) Electronic and topological properties of Sn_{1-x}In_{x}Te A first-principles investigation of physical properties and superconductivity of NbP Tunable thermal transport characteristics of nanocomposites Atomic and electronic structures of Sn covered W(110) surface Probing the electron-phonon interaction in superconductivity for KSn2 using the Migdal-Eliashberg theory and linear-response theory Effect of interface density, quality and period on the lattice thermal conductivity of nanocomposite materials Study of synthesis and photocatalytic performance of the monoclinic/cubic heterophase junction of rare earth doped zirconia Impact of spin-orbit coupling on the physical properties and superconductivity of Ir-rich superconductor Mg_2Ir_3Si: A first-principles investigation The Physics of Phonons -- Second Edition Characterisation of optical phonons within epitaxial Ge2Sb2Te5/InAs(111) structures Enhancement of High Entropy Oxide (La0.2Nd0.2Sm0.2Gd0.2Y0.2)2Zr2O7 Mechanical and Photocatalytic Properties Via Eu Doping Role of spin–orbit coupling on the physical properties of APb_3 (A = Na, Ca, Y, and Th) superconductors Impact of spin-orbit coupling on physical properties and superconductivity in noncentrosymmetric superconductors Ru_7B_3 and Re_7B_3 Ab initio investigation of the relativistic effect in the physical properties of intermetallic superconductor TlBi2 with AlB2-type hexagonal layer structure Ab initio investigation of phonon-mediated superconductivity in the ternary borides Mo5XB2 (X=P, Si, Ge): Comparison with W5SiB2 Interchange of Weyl points in the phonon bands of a half-metal alloy Complementary Variational Principles (REVIEW ARTICLE) Photoelectron Spectroscopy of Solids and Their Surfaces (REVIEW ARTICLE) Theory of the Cohesive Energies of Solids (REVIEW ARTICLE) Ab-Initio Computer modelling of semiconductor surfaces (REVIEW ARTICLE) c-Si surfaces - review of theoretical studies Computers calculate silicon surface structure Parallel studies reconstruct silicon Three-phonon processes and third-order atomic coupling constants Variational treatment of the Ziman limit of thermal resistance due to umklapp processes A two-sided variational approach for phonon conductivity Three-phonon relaxation times Acoustic-optical phonon interactions in solids Influence of deep levels on Schottky barrier formation Phonon conductivity due to nondiagonal energy-flux operator Role of thermal expansion in the phonon conductivity of solids Atomic structure and ordering in III-V semiconductor alloys Phonons in germanium along the [110] direction: 'Direct' approach Electronic states in the ultrathin superlattices (GaAs)n(AlAs)n and (GaAs)n(ZnSe)n Intervalley interference effects in quantum well structures Discussion on paper "STM studies of Fermi-level pinning on the GaAs(001) surface" Discussion on paper "Control of electrical barriers at semiconductor heterojunctions by interface doping" Temperature dependence of the bounds on thermal resistance due to U-processes Choice of trial function for the calculation of thermal resistivity due to electron-phonon scattering On the bounds on the three-phonon U-resistance Second upper-bound on the three-phonon resistivity in Ge Variational treatment of Ziman limit conductivity Three-phonon scattering strengths and Ziman limit of resistivity due to three-phonon scattering processes in Ge Variational treatment of three-phonon scattering processes in an anisotropic insulator Contribution of longitudinal and transverse phonons towards the thermal conductivity of Ge in the Ziman limit On the boundary scattering of phonons On the boundedness of the eigenvalue spectrum of phonon collision operator Lower and upper bounds on the three-phonon U-resistance in Ge Anharmonic relaxation of phonons Calculation of bounds on the eigenvalue spectrum of anharmonic phonon collision operator Complementary variational principles for lattice thermal conductivity Calculation of some variational bound results on lattice thermal conductivity of Ge Calculation of anharmonic relaxation of phonons Comparison of high-temperature three-phonon resistivities from different theoretical models Derivation and calculation of a sequence of lower bounds for lattice thermal conductivity Calculation of lattice thermal conductivity of Ge from 4 - 900 K On the use of variational n-parameters trial function in the calculation of lattice thermal conductivity Derivation and calculation of complementary variational principles for lattice thermal conductivity Hypercircle approach and complementary variational principles for lattice thermal conductivity Improvement of variational bounds on lattice thermal conductivity by scaling and Ritz procedures A note on the nature of phonon collision operator Localised states in the presence of a phosphorus vacancy in GaP Electronic and optical properties of c- and a-Si Role of optical phonons in the high-temperature thermal conductivity of semiconductors Electronic structure of a neutral phosphorus vacancy in GaP and InP A model pseudopotential calculation of the electronic structure of Si(111) 1x1 surface Phonon conductivity of insulators and semiconductors Angle-resolved photoelectron spectroscopy -the cleaved (110) surface of indium phosphide The electronic band structure of SnS The electronic structure of cleaved silicon (111) surfaces following adsorption of aluminium Diagonal and nondiagonal Peierls contribution to the thermal conductivity of anharmonic crystals Electronic charge densities for two isoelectronic series: Ge-GaAs-ZnSe and a-Sn-InSb-CdTe The influence of adsorbate layers in controlling Schottky barriers Semiempirical pseudopotential calculations for the electronic structure of zincblende semiconductors Laser cleaned silicon surfaces-electronic structure and surface crystallography Semiempirical pseudopotential calculation of the clean (110) surface of InP Self-consistent pseudopotential calculation for the electronic structure of Ge Self-consistent pseudopotential calculations for the electronic structure of bulk and (111) surface of a-Sn Electronic structure and total energy of Si, Ge, and a-Sn by the self-consistent local pseudopotential method Nonlocal pseudopotential calculations for two isoelectronic series: Ge-GaAs-ZnSe and a-Sn-InSb-CdTe Self-consistent pseudopotential calculations of the equilibrium bulk properties of diamond-type semiconductors Self-consistent nonlocal pseudopotential calculations for the ground state properties of a-Sn The electronic structure of cleaved indium phosphide (110) surfaces: experiment and theory Broyden's method for self-consistent-field convergence acceleration Atomic structure and ordering in semiconductor alloys Angle-resolved photoemission from the cleaved (110) surface of cadmium telluride The atomic geometry of ZnSe(110): determination by total energy methods The electronic band structure of (GaAs)n(AlAs)n superlattices Dimensionality and size effects in simple metals Determination of the surface geometry of GaAs(110) by the total energy and force methods p-bonded chain structure for Ge on Si(111) The electronic band structure of (GaAs)n(AlAs)n and (GaAs)n(ZnSe)n superlattices Reply to "Comments on 'Atomic structure and ordering in semiconductor alloys' " Electronic band structure of monolayer thin semiconductor superlattices Phonon dispersion in the [110] direction: a testing ground for phenomenological models of germanium Erratum: Atomic structure and ordering in semiconductor alloys Alloying effect in the electronic properties of thin GaAs/AlAs superlattices Report on a Kellar plan course in first-year university physics Nature of the lowest conduction band in thin GaAs/AlAs(110) superlattices On the linewidth of G- and X-like intersubband optical transitions in semiconductor quantum wells On level splitting by intervalley interference effects in semiconductor quantum wells Low lying conduction states in (GaAs)n(AlAs)n superlattices Atomic and electronic strudture of a monolayer ZnSe on the GaAs(110) surface The derivation of pseudoatom information in germanium from total energy calculations Electronic states on InP(110)-Sb(1ML) Intersubband absorption line broadening in In0.53Ga0.47As/In0.52Al0.48As quantum wells: a pseudopotential calculation Ordering of conduction band states in (GaAs)n(AlAl)n[001].and [110] superlattices Atomic geometries of InP(110)-Sb(1ML) and GaAs(110)-Sb(1ML) Ordering of lowest conduction band states in (GaAs)n(AlAl)m[111] superlattices Atomic relaxation and electronic states in ultrathin Ge/ZnSe superlattices Calculation of X-valley intersubband optical transitions linewidth in [111] grown AlAs/(GaAl)As quantum wells Disorder effects on tunnelling through one dimensional double barrier quantum well structures - a coherent potential approach Derivation of pseudoatom information in GaAs Twinning superlattices Atomic geometry and electronic structure of a monolayer of Sb on (110) GaAs and InP Atomic geometry, electronic states and bonding at the GaP(110)-Sb(1 ML) interface A simple approach to self-energy corrections in semiconductors and insulators Geometry and electronic band structure of GaAs(110)-Bi(1 ML) Electronic properties of twin boundaries and twinning superlattices in diamond/zincblende semiconductors Chemisorption of aluminium on GaAs(110) Atomic geometry, electronic states and bonding at the GaP(110)-Sb(1 ML) interface First-principles calculations of interface phonons of an epitaxial Sb monolayer on GaAs(110) and InP(110) Ab initio molecular dynamics study of InP(110)-Sb(1 ML) A robust method of calculating surface atomic geometry Electronic structure of twinning superlattices Calculated electronic band structures of III-V semiconductors with metallic overlayers Subband structures of superlattices under strong in-plane magnetic fields Electronic structure of [113]-grown (GaAs)m(AlAs)n superlattices A microscopic study of Landau level states in quantum wires Density functional and quasiparticle calculations on the GaAs(110) surface Atomic geometry for III-V semiconductors with Bi overlayers Chemisorption of antimony on III-V(110) surfaces Electronic band structures of InAs(110) and InAs(110)Bi(1 ML) Finite fields and intervalley scattering in a resonant tunnelling quantum wire and dot double barrier structure using a multiband microscopic layer method An ab-initio calculation of ground state and excited state properties of Gallium Nitride Theoretical study of the anharmonic decay of nonequilibrium LO phonons in semiconductor structures Density functional and quasiparticle calculations on the GaAs(110) surface III-V(110)/Sb(1 ML): Structural and dynamical properties Geometry and electronic structure of Se treated InP(110) Density functional and quasiparticle calculations on the GaP(110) surface Direct optical transitions in indirect semiconductors: the case of Ge twinning superlattices III-V(110) surface dynamics from ab-initio frozen phonon approach Electronic structure of (GaAs)m(AlAs)n superlattices grown in the [211] direction Optical properties of twinning superlattices in diamond-type and zinc-blende-type semiconductors Electronic properties of (111) twin boundaries and twinning superlattices in lead sulfide Electronic structure of PbS(111) twin boundaries and twinning superlattices Geometry and electronic band structure of an ordered monolayer deposition of Bi on III-V(110) semiconductor surfaces Phonon dispersion on a GaAs(110) surface studied using the adiabatic bond charge model Phonons at III-V(110) surfaces Density functional and quasiparticle calculations on the InP(110) surface Bonding and structure of the Si(001)(2x1)-Sb surface Theoretical studies of the GaAs(001)-Ge(2x1) and (1x2) structures Atomic geometry and bonding of the GaAs(001)-beta2(2x4) surface from ab initio pseudopotential calculations Surface phonons on InP(110) with the adiabatic bond charge model Theoretical evidence concerning mixed dimer growth on the Si(001)(2x1)-Ge surface Adsorption of group V elements on III-V(110) surfaces Surface dynamics of InP(110) and GaP(110) with the adiabatic bond charge model Microscopic calculation of valence-band states in semiconductor structures in the presence of a magnetic field Energetic evidence for mixed dimer growth on the Si(001)/Ge(2x1) surface Atomic structure and bonding on GaAs(001)/Sb(2x4) Phonon modes for the symmetric and asymmetric dimer models of the Si(001)(2x1) surface Semiconductor surface reconstruction In-plane magnetic field studies of InAs/GaSb superlattices Theorey of localized phonons on III-V(110) Atomic geometry and electronic structure of S/InP(001) A comparative study of atomic vibrations on GaAs(110) and InAs(110) A theoretical study of sulphur adsorption on InP(110) Electronic structure of natural, self-organized PbS-Bi2S3 twinning superlattices Calculation of atomic geometry, electronic states and bonding for the S-deposited InP(110) surface Theoretical studies of atomic vibrations on the Si(001)(2X1) surface Electrostatic implications for Sb-mediated growth of Ge on the Si(001) surface Atomic vibrations in thin (GaAs)n(AlAs)n superlattices A comparative study of Sb bonding on group IV semiconductor (001) substrates Calculation of phonon dispersion on the ZnSe(110) surface An ab initio study of atomic geometry, electronic states and bonding for H2S-adsorption on III-V(110)-(1X1) surfaces Electronic structure calculations of self-organized PbS-Bi2S3(Ag2S)(113) twinning superlattices Atomic structure of a monolayer of Ge on Si(001)(2X1) Atomic structure of the GaAs(001)-beta2(2X4) surface Structural studies of Si(001)/Sb(0.25 ML)-c(4X4) A study of atomic vibrations on Si(001)(2X1)-Ge An ab initio calculation of the adsorption of H2S onto InP(110)-(1X1) surface Structural, electronic and vibrational properties of the InSb(110) surface Composite electron-hole states in GaSb/InAs quantum wells A study of atomic vibrations on Si(001)(2X1)-Sb Ab initio density functional calculations for Si(001)/Bi(1ML)-(2X 1) Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4X4) Vibrational properties of ZnSe(110) surface Theoretical calculations for Si(001)-(2X1)Cl Theoretical study of the GaAs(110)-H2S surface Atomic geometry, electronic structure and vibrational properties of the Ge(001)(2X1) surface Thermodynamic evidence for surfactant behaviour of Sb in the growth of Ge on Si(001) Structure and energetics of segregated and non-segregated Ge(001)/Si(2X1) Atomic vibrations in thin [111] (GaAs)n(AlAs)n superlattices Structure and stability of the Si(001) c(4X4)-Sb surface Dissociative adsorption of NH3 on Si(001)-(2X1) Vibrational properties of Ge- and Sb-adsorbed Si(001) surfaces Comparitive ab initio pseudopotential study of group V overlayes on Si(001) surfaces Adsorption and desorption of S on and off Si(001) studied by Ab initio Density Functional Theory Coupling-constant dependence of the density functional correlation energy Electronic and vibrational properties of the GaSb(110) surface The role of generalized gradient approximation in structural and electronic properties of bulk and surface of beta-GaN and GaAs Ab initio study of the adsorption of H2S onto the Si(001) surface Ab initio pseudopotential calculations for electronic and geometric structure of mixed Si-Ge dimers on the Si(001)-(1x2) and Si(001)-(2x4) surfaces Dimer length variation for different reconstructions of Si, Ge and mixed Si--Ge dimers on Si(001) and Ge(001) substrates Adsorption of partially and fully dissociated H2S molecule on the Si(001) and Ge(001) surfaces Characterisation of the Ge(001)/Si-(2) Surface Using Lattice Dynamics Pseudopotential Studies of co-adsorption of group V elements and Ge on Si(001) surfaces Atomic geometry, electronic structure, and vibrational properties of the AlSb(110) and GaSb(110) surfaces Role of generalized-gradient approximation in structural and electronic properties of bulk and surface of beta-GaN and GaAs Surface Phonons on Si(001)/As(2X1) Surface dynamics of AlSb(110) and GaP(110) Confinement of optical phonon modes in thin (GaAs)n(AlAs)n superlattices Dimer length variation for different reconstructions of Si, Ge, and mixed Si-Ge Adsorption of partially and fully dissociated H2S molecule on the Si(001) and Ge(001) surfaces Phonons on II--VI(110) surfaces Structure and Electronic States on InAs(001)-(2$\times$4) surfaces Theoretical Studies of the Initial Stages of Zn Adsorption onGaAs(001)--(2x4) Effects of gradient and non-linear core corrections on structural and electronic properties of GaN bulk and (001) surfaces Phonons in zinc-blende and wurtzite phases of GaN, AlN and BN with the adiabatic bond-charge model Structure of Zn adsorption on GaAs(001)-(2$\times$ 4) III--N(110) Surface Relaxation and its Dependence on the Chemical Bonding Atomic geometry, electronic states and vibrational properties of the AlAs(110) surface Theoretical modelling of semiconductor surfaces and interfaces Phonon dynamics of Si(001)/Bi($2\times 1$) Structure and energetics of segregated and nonsegregated H:Ge(001)/Si and Cl:Ge(001)/Si Dissociative adsorption of NF$_3$ on Si(001)-($2\times 1$) Comparative study of Bi overlayers on III-Sb(110($1\times 1$) surfaces Dissociative adsorption of Si$_2$H$_6$ on the Si(001) surface Ab initio investigation of Bi covered GaSb(110) surfaces Geometry, electrons, phonons and reactions on Si(001) surfaces Theory of thermal conduction in nonmetals Electronic and vibrational properties of the As:InP(110) and Sb:InP(110) surfaces Ab initio study of the Bi-covered GaAs(111)B surface Effect of hydrogenation on the adsorption of Ge on Si(001) Sb-covered GaAs(111)B--(3x8) surface: a theoretical study A comparative study of surface phonons on CdTe(110) and InSb(110) First-Principles calculations of the adsorption and dissociation of PH3 on Si(001)-(2x1) Adsorption of GeH2 on the Si(001) surface A Comparative Study of Dissociative Adsorption of NH3, PH3 ans AsH3 on Si(001)--(2x1) Electronic structure of AgBr (111) twin boundaries Theoretical investigations of Sb induced (3x8) and (1x3) reconstructions on the GaAs(111)B surface Dissociative adsorption of PH3 on the Si(001) surface Atomic geometry, electronic structure and image state for the Si(111)--In(4x1) nanowire
Forward to Professor G. P. Srivastava publications by Srivastava, GP (38 publications).
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