by x-ray photoemission spectroscopy:???Theory and experiment, Physical Review B, vol.27, issue.23, p.14572, 1998. ,
DOI : 10.1016/0022-3697(66)90074-6
Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.119, issue.4A, pp.1133-1137, 1965. ,
DOI : 10.1103/PhysRev.119.1153
First-principles study on the formation energies of intrinsic defects in LiNbO3, Journal of Physics and Chemistry of Solids, vol.68, issue.7, p.1336, 2007. ,
DOI : 10.1016/j.jpcs.2007.02.035
Characterization of stoichiometric LiNbO3 grown from melts containing K2O, Applied Physics A Solids and Surfaces, vol.26, issue.2, pp.103-108, 1993. ,
DOI : 10.1117/12.20457
: Comparison to phenomenological polaron theory, Physical Review B, vol.153, issue.4, p.184108, 2008. ,
DOI : 10.1103/PhysRevB.48.13691
Experimental and theoretical investigations of Mg2+-doped single-crystal fibres of lithium niobate, Optical Materials, vol.34, issue.2, p.465, 2011. ,
DOI : 10.1016/j.optmat.2011.04.023
Refractive indices of lithium niobate as a function of temperature, wavelength, and composition: A generalized fit, Physical Review B, vol.41, issue.21, p.15613, 1993. ,
DOI : 10.1063/1.1659225
ground- and excited-state properties from first-principles calculations, Physical Review B, vol.27, issue.3, p.35106, 2008. ,
DOI : 10.1088/0022-3727/18/10/016
Defect structure dependence on composition in lithium niobate, Acta Crystallographica Section B Structural Science, vol.42, issue.1, pp.61-68, 1986. ,
DOI : 10.1107/S0108768186098567
Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.1013-1018, 1966. ,
DOI : 10.1016/0022-3697(66)90073-4
Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.1013-1018, 1966. ,
DOI : 10.1016/0022-3697(66)90073-4
Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24?? and 1200??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.1019-1026, 1966. ,
DOI : 10.1016/0022-3697(66)90074-6
Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24?? and 1200??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.1019-1026, 1966. ,
DOI : 10.1016/0022-3697(66)90074-6
Ferroelectric lithium niobate. 3. Single crystal X-ray diffraction study at 24??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.997-1012, 1966. ,
DOI : 10.1016/0022-3697(66)90072-2
Ferroelectric lithium niobate. 3. Single crystal X-ray diffraction study at 24??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.997-1012, 1966. ,
DOI : 10.1016/0022-3697(66)90072-2
Orthoscopic investigation of the axial optical and compositional homogeneity of Czochralski grown LiNbO3 crystals, Journal of Crystal Growth, vol.128, issue.1-4, p.903, 1993. ,
DOI : 10.1016/S0022-0248(07)80067-4
: AN EFFICIENT PHASE MATCHABLE NONLINEAR OPTICAL MATERIAL, Applied Physics Letters, vol.3, issue.11, pp.234-236, 1964. ,
DOI : 10.1103/PhysRev.127.1918
single crystals at room temperature, Physical Review B, vol.50, issue.17, p.174109, 2003. ,
DOI : 10.1107/S0108768193012820
Lithium niobate-a new type of ferroelectrics : growth, structure and properties, Quant. Electron, vol.16, issue.373, 1967. ,
Photorefractive Materials and Their Applications I, Fundamental Phenomena, Topics in Applied Physics, vol.61, 1988. ,
Photorefractive Materials and Their Applications II, Survey of applications, Topics in Applied Physics, vol.62, 1989. ,
Photorefractive Materials and Their Applications 1, Basic Effects, Series in Optical Sciences, 2006. ,
OPO for generating mid IR to terahertz waves, Ferroelectrics, vol.24, issue.1, p.95, 2001. ,
DOI : 10.1364/OL.24.001065
Improvement of LiNbO3 Microstructure by Crystal Growth with Potassium, Physica Status Solidi (a), vol.28, issue.1, p.29, 1992. ,
DOI : 10.1002/pssa.2211330124
Ferroelectricity in the Ilmenite Structure, Physical Review, vol.76, issue.12, pp.1886-1887, 1949. ,
DOI : 10.1103/PhysRev.76.1215
Ferroelectric lithium niobate. 2. Preparation of single domain crystals, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, pp.989-996, 1966. ,
DOI : 10.1016/0022-3697(66)90071-0
Nb NMR Linewidths in Nonstoichiometric Lithium Niobate, The Journal of Chemical Physics, vol.5, issue.10, p.4848, 1972. ,
DOI : 10.1063/1.1840478
Growth of stoichiometric LiNbO3 single crystals by top seeded solution growth method, Journal of Crystal Growth, vol.177, issue.3-4, pp.211-216, 1997. ,
DOI : 10.1016/S0022-0248(96)01098-6
Crystal growth and stoichiometry of LiNbO3 prepared by the flux method, Optical Materials, vol.19, issue.1, pp.7-11, 2002. ,
DOI : 10.1016/S0925-3467(01)00195-1
295. Prokhorov A M and Kus'minov Yu S, Physics and chemistry of crystalline lithiume niobate, the Adam Higer Series on Optics and Optoelectronics, 1990. ,
Refractive indices of lithium niobate as a function of temperature, wavelength, and composition: A generalized fit, Physical Review B, vol.41, issue.21, p.15613, 1993. ,
DOI : 10.1063/1.1659225
Influence of the defect structure on the refractive indices of undoped and Mg-doped lithium niobate, Physical Review B, vol.13, issue.2, p.751, 1994. ,
DOI : 10.1364/OL.13.001102
First-principles study of the dielectric and dynamical properties of lithium niobate, Physical Review B, vol.142, issue.21, p.214302, 2002. ,
DOI : 10.1002/pssb.2221420130
Exchange holes in inhomogeneous systems: A coordinate-space model, Physical Review A, vol.88, issue.8, p.3761, 1989. ,
DOI : 10.1063/1.454274
Density-functional exchange-energy approximation with correct asymptotic behavior, Physical Review A, vol.28, issue.6, p.3098, 1988. ,
DOI : 10.1103/PhysRevB.28.1809
WIEN2k An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn, Austria) ISBN. Born M, Oppenheimer J R, Ann. d. Physik, vol.84, pp.457-484, 1927. ,
Ground State of the Electron Gas by a Stochastic Method, Physical Review Letters, vol.34, issue.7, pp.566-569, 1980. ,
DOI : 10.1039/tf9383400678
Density Functional Theory and the family of (L)APW-methods: a step-by-step introduction, 2002. ,
The fundamentals of density functional theory, 1996. ,
DOI : 10.1007/978-3-322-97620-8
Approximation: Application to Si, MnO, and NiO, Physical Review Letters, vol.93, issue.12, p.126406, 2004. ,
DOI : 10.1103/PhysRevB.30.4734
48 (1928) 73. Fetter A L and Walecka J D, Quantum theory of many-particle system, 5McGraw-Hill Book Company, 1971. ,
N???herungsmethode zur L???sung des quantenmechanischen Mehrk???rperproblems, Zeitschrift f???r Physik, vol.61, issue.1-2, pp.126-148, 1930. ,
DOI : 10.1007/BF01340294
Self-energy operators and exchange-correlation potentials in semiconductors, Physical Review B, vol.25, issue.17, p.10159, 1988. ,
DOI : 10.1103/PhysRevB.25.6310
Descriptions of exchange and correlation effects in inhomogeneous electron systems, Physical Review B, vol.10, issue.8, pp.3136-3164, 1979. ,
DOI : 10.1103/PhysRevB.10.3052
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem, Physical Review, vol.121, issue.3A, pp.796-823, 1965. ,
DOI : 10.1103/PhysRev.121.950
Electronic charge densities for ZnS in the wurtzite and zincblende structures, Journal of Physics C: Solid State Physics, vol.6, issue.9, p.1572, 1973. ,
DOI : 10.1088/0022-3719/6/9/015
Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.119, issue.4A, pp.1133-1137, 1965. ,
DOI : 10.1103/PhysRev.119.1153
Improved lower bound on the indirect Coulomb energy, International Journal of Quantum Chemistry, vol.2, issue.3, pp.427-439, 1981. ,
DOI : 10.1002/sapm197757293
The Theory of Sound, p.1894 ,
Screened hybrid density functionals applied to solids, The Journal of Chemical Physics, vol.17, issue.15, p.154709, 2006. ,
DOI : 10.1007/3-540-09202-1
URL : https://hal.archives-ouvertes.fr/hal-00204683
Density Functional Theory of Atoms and Molecules, 1989. ,
DOI : 10.1007/978-94-009-9027-2_2
total-energy calculations: molecular dynamics and conjugate gradients, Reviews of Modern Physics, vol.20, issue.4, pp.1045-1097, 1992. ,
DOI : 10.1103/PhysRevB.20.4082
Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities, Physical Review Letters, vol.25, issue.20, p.1884, 1983. ,
DOI : 10.1103/PhysRevB.25.2867
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation, Physical Review B, vol.14, issue.12, pp.8800-8802, 1986. ,
DOI : 10.1016/S0092-640X(74)80016-1
Self-interaction correction to density-functional approximations for many-electron systems, Physical Review B, vol.1, issue.10, pp.5048-5079, 1981. ,
DOI : 10.1103/PhysRevB.1.1044
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)], Physical Review Letters, vol.78, issue.7, p.1396, 1997. ,
DOI : 10.1103/PhysRevLett.78.1396
Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.80, issue.18, pp.3865-3868, 1996. ,
DOI : 10.1063/1.446965
Generalized gradient approximation for the exchange-correlation hole of a many-electron system, Physical Review B, vol.57, issue.23, pp.16533-16539, 1996. ,
DOI : 10.1002/(SICI)1097-461X(1996)57:3<309::AID-QUA4>3.0.CO;2-1
Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy, Physical Review Letters, vol.50, issue.23, p.1691, 1982. ,
DOI : 10.1063/1.1671628
Accurate and simple analytic representation of the electron-gas correlation energy, Physical Review B, vol.7, issue.23, pp.13244-13249, 1992. ,
DOI : 10.1016/0003-4916(59)90016-8
Elementary excitation in solids, 1963. ,
The theory of quantum liquids. (Volume I: Normal fermi liquids, 1966. ,
Calculations with Vertex Corrections, Physical Review Letters, vol.54, issue.24, p.246403, 2007. ,
DOI : 10.1103/PhysRevB.73.045112
Pseudopotentials and the LAPW method, 2006. ,
Comment on ???Generalized Gradient Approximation Made Simple???, Physical Review Letters, vol.44, issue.4, p.890, 1998. ,
DOI : 10.1103/PhysRevA.44.7071
Ferroelectric lithium niobate. 3. Single crystal X-ray diffraction study at 24??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, p.997, 1966. ,
DOI : 10.1016/0022-3697(66)90072-2
Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24?? and 1200??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, p.1019, 1966. ,
DOI : 10.1016/0022-3697(66)90074-6
Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24??C, Journal of Physics and Chemistry of Solids, vol.27, issue.6-7, p.1013, 1966. ,
DOI : 10.1016/0022-3697(66)90073-4
Exact-exchange-based quasiparticle calculations, Physical Review B, vol.29, issue.11, p.7121, 2000. ,
DOI : 10.1016/0921-5107(94)04011-R
Introduction to Solid State Physic, pp.978-0471111818, 1996. ,
Approximation: Application to Si, MnO, and NiO, Physical Review Letters, vol.93, issue.12, p.126406, 2004. ,
DOI : 10.1103/PhysRevB.30.4734
Self-energy operators and exchange-correlation potentials in semiconductors, Physical Review B, vol.25, issue.17, p.10159, 1988. ,
DOI : 10.1103/PhysRevB.25.6310
by x-ray photoemission spectroscopy:???Theory and experiment, Physical Review B, vol.27, issue.23, p.14572, 1998. ,
DOI : 10.1016/0022-3697(66)90074-6
Narrow bandwidth volume holographic optical filter operating at the Kr transition at 1547.82 nm, Applied Physics Letters, vol.33, issue.9, p.1079, 1994. ,
DOI : 10.1016/0030-4018(73)90168-5
First-principles study on the formation energies of intrinsic defects in LiNbO3, Journal of Physics and Chemistry of Solids, vol.68, issue.7, pp.1336-1340, 2007. ,
DOI : 10.1016/j.jpcs.2007.02.035
C : Solid State Phys, J. of Appl. Phys, vol.104, pp.13-2675, 1980. ,
Compact holographic storage demonstrator with rapid access, Applied Optics, vol.35, issue.14, p.2375, 1996. ,
DOI : 10.1364/AO.35.002375
: Comparison to phenomenological polaron theory, Physical Review B, vol.153, issue.4, p.184108, 2008. ,
DOI : 10.1103/PhysRevB.48.13691
: Comparison to phenomenological polaron theory, Physical Review B, vol.153, issue.4, p.184108, 2008. ,
DOI : 10.1103/PhysRevB.48.13691
THE NATURE OF THE CHEMICAL BOND. IV. THE ENERGY OF SINGLE BONDS AND THE RELATIVE ELECTRONEGATIVITY OF ATOMS, Journal of the American Chemical Society, vol.54, issue.9, pp.3570-3582, 1932. ,
DOI : 10.1021/ja01348a011
theory, Physical Review B, vol.74, issue.24, p.245125, 2006. ,
DOI : 10.1103/PhysRevLett.75.3489
ground- and excited-state properties from first-principles calculations, Physical Review B, vol.27, issue.3, p.35106, 2008. ,
DOI : 10.1088/0022-3727/18/10/016
Calculations with Vertex Corrections, Physical Review Letters, vol.54, issue.24, p.246403, 2007. ,
DOI : 10.1103/PhysRevB.73.045112
A: Solids Surf, 0191. ,
Fundamentals of semiconductors, 2010. ,
WIEN2k An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, 2001. ,
calculations of excitons in GaN, Physical Review B, vol.23, issue.3, p.35204, 2005. ,
DOI : 10.1103/PhysRevB.62.4927
Infrared Absorption of Germanium near the Lattice Edge, Physical Review, vol.94, issue.6, pp.1714-1720, 1955. ,
DOI : 10.1103/PhysRev.94.1525
calculations of the electronic and optical properties of germanium selenide, Journal of Physics: Condensed Matter, vol.19, issue.18, p.186211, 2007. ,
DOI : 10.1088/0953-8984/19/18/186211
: First-principles calculations, Physical Review B, vol.11, issue.1, p.14209, 2006. ,
DOI : 10.1088/0305-4608/4/12/016
Refractive indices of lithium niobate as a function of temperature, wavelength, and composition: A generalized fit, Physical Review B, vol.41, issue.21, p.15613, 1993. ,
DOI : 10.1063/1.1659225
ground- and excited-state properties from first-principles calculations, Physical Review B, vol.27, issue.3, p.35106, 2008. ,
DOI : 10.1088/0022-3727/18/10/016
Band gap of C3N4 in the GW approximation, International Journal of Hydrogen Energy, vol.37, issue.15, p.11072, 2012. ,
DOI : 10.1016/j.ijhydene.2012.04.138
Présentation : Poster, 2011. ,
Présentation: Oral 4, Présentation : Poster 3 International Conference on Innovative Materials and Techniques (ICIMT), 2012. ,
Présentation : Poster 5 " Electronic and Optical Properties of Lithium Niobate from Density Functional Theory in the book, Recent Research Development in Materials Science, issue.5 9, pp.137-156, 2012. ,
Energy band gap and optical properties of lithium niobate from ab initio calculations, Computational Materials Science, vol.79, pp.125-131, 2013. ,
DOI : 10.1016/j.commatsci.2013.06.017
URL : https://hal.archives-ouvertes.fr/hal-00863122