메뉴 건너뛰기




Volumn 218, Issue 4, 2003, Pages 247-258

The quantitative analysis of electrostatic potential and study of chemical bonding by electron diffraction structure analysis

Author keywords

[No Author keywords available]

Indexed keywords

FLUORIDE SODIUM; GERMANIUM; LITHIUM FLUORIDE; MAGNESIUM OXIDE; SODIUM CHLORIDE;

EID: 0041308185     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.218.4.247.20742     Document Type: Review
Times cited : (8)

References (67)
  • 2
    • 0003751863 scopus 로고
    • Electron diffraction
    • Moscow; Butterworth, London. 404 p
    • Pinsker, Z. G.: Electron diffraction (Akad. Nauk SSSR, Moscow, 1949; Butterworth, London, 1953). 404 p.
    • (1949) Akad. Nauk SSSR
    • Pinsker, Z.G.1
  • 6
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn, W.; Sham, L. J.: Self-consistent equations including exchange and correlation effects. Phys. Rev. A140 (1965) 1133-1138. Sham, L. J.; Kohn, W.: One-particle properties of an inhomogeneous interacting electron gas. Phys. Rev. 145 (1966) 561-567.
    • (1965) Phys. Rev. , vol.A140 , pp. 1133-1138
    • Kohn, W.1    Sham, L.J.2
  • 7
    • 36049056904 scopus 로고
    • One-particle properties of an inhomogeneous interacting electron gas
    • Kohn, W.; Sham, L. J.: Self-consistent equations including exchange and correlation effects. Phys. Rev. A140 (1965) 1133-1138. Sham, L. J.; Kohn, W.: One-particle properties of an inhomogeneous interacting electron gas. Phys. Rev. 145 (1966) 561-567.
    • (1966) Phys. Rev. , vol.145 , pp. 561-567
    • Sham, L.J.1    Kohn, W.2
  • 9
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg, P., Kohn, W.: Inhomogeneous electron gas. Phys. Rev. B136 (1964) 864-871.
    • (1964) Phys. Rev. , vol.B136 , pp. 864-871
    • Hohenberg, P.1    Kohn, W.2
  • 10
    • 0009725465 scopus 로고
    • Influence of chemical bonding on the electron atomic scattering
    • in Russia
    • Vainshtein, B. K.; Dvoryankin, V. F.: Influence of chemical bonding on the electron atomic scattering. Kristallographya 1 (1956) 626-630 (in Russia).
    • (1956) Kristallographya , vol.1 , pp. 626-630
    • Vainshtein, B.K.1    Dvoryankin, V.F.2
  • 13
    • 0001633892 scopus 로고    scopus 로고
    • An introduction to "Physical electron diffraction structure anlysis"
    • In Russia
    • Avilov, A. S.: An introduction to "Physical electron diffraction structure anlysis". Izvestia Akademii Nauk SSSR. Seria fizicheskaya. 61 (1997) 1934-1944 (In Russia).
    • (1997) Izvestia Akademii Nauk SSSR. Seria Fizicheskaya , vol.61 , pp. 1934-1944
    • Avilov, A.S.1
  • 14
    • 0032281373 scopus 로고    scopus 로고
    • Quantitative determination of electrostatic potential of crystals by methods of electron diffraction structure analysis
    • Avilov, A. S.: Quantitative determination of electrostatic potential of crystals by methods of electron diffraction structure analysis, Crystall, Reports 43 (1998) 925-933.
    • (1998) Crystall, Reports , vol.43 , pp. 925-933
    • Avilov, A.S.1
  • 16
    • 0042042050 scopus 로고
    • S Multibeam diffractrion of fast electrons in mosaic monocrystalline films of LiF
    • Avilov, A. S.; Parmon, V. S,: Multibeam diffractrion of fast electrons in mosaic monocrystalline films of LiF. Sov. Phys. Crystallogr, 35 (1990) 733-737.
    • (1990) Sov. Phys. Crystallogr. , vol.35 , pp. 733-737
    • Avilov, A.S.1    Parmon, V.2
  • 17
    • 0041540791 scopus 로고
    • Multiwave elastic scattering of fast electrons in textured films of PbSe
    • Avilov, A. S.; Parmon, V. S.: Multiwave elastic scattering of fast electrons in textured films of PbSe. Sov. Phys. Crystallogr. 37 (1992) 744-750.
    • (1992) Sov. Phys. Crystallogr. , vol.37 , pp. 744-750
    • Avilov, A.S.1    Parmon, V.S.2
  • 18
    • 0002471069 scopus 로고
    • Complex lattice potentials in electron diffraction calculated for a number of crystals
    • Radi, G.: Complex lattice potentials in electron diffraction calculated for a number of crystals. Acta Cryst. A26 (1970) 41-56.
    • (1970) Acta Cryst. , vol.A26 , pp. 41-56
    • Radi, G.1
  • 19
    • 0000416054 scopus 로고    scopus 로고
    • Robust parametrization of elastic and absorptive electron atomic scattering factors
    • Peng, L.-M.; Ren, G.; Dudarev, S. L.; Whelan, M, L.: Robust parametrization of elastic and absorptive electron atomic scattering factors. Acta Cryst. A52 (1996) 257-276.
    • (1996) Acta Cryst. , vol.A52 , pp. 257-276
    • Peng, L.-M.1    Ren, G.2    Dudarev, S.L.3    Whelan, M.L.4
  • 20
    • 2842614898 scopus 로고    scopus 로고
    • Debey-Waller factors and absorptive scattering factors of elemental crystalls
    • Peng, L.-M.; Ren, G.; Dudarev, S. L.; Whelan, M. L.: Debey-Waller factors and absorptive scattering factors of elemental crystalls. Acta Cryst. A52 (1996) 456-470.
    • (1996) Acta Cryst. , vol.A52 , pp. 456-470
    • Peng, L.-M.1    Ren, G.2    Dudarev, S.L.3    Whelan, M.L.4
  • 21
    • 0001622761 scopus 로고
    • Effect of thermal diffuse scattering on propagation of high energy electrons through crystals
    • Hall, C. R.; Hirsch, P. B.: Effect of thermal diffuse scattering on propagation of high energy electrons through crystals. Proc. Roy. Soc. London. A286 (1965) 158-177.
    • (1965) Proc. Roy. Soc. London , vol.A286 , pp. 158-177
    • Hall, C.R.1    Hirsch, P.B.2
  • 22
    • 0001253323 scopus 로고
    • Computation of absorbtive form factors for high-energy electron diffraction
    • Weickenmeier, A. L.; Kohl, H.: Computation of absorbtive form factors for high-energy electron diffraction. Acta Cryst. A47 (1991) 590-597.
    • (1991) Acta Cryst. , vol.A47 , pp. 590-597
    • Weickenmeier, A.L.1    Kohl, H.2
  • 23
  • 27
    • 0007145770 scopus 로고
    • The measurement of intensities and removal of background of scattered electrons at the electron diffraction structure analysis
    • In Russia
    • Bagdik'yants, G. O.; Alexeev, A. G.: The measurement of intensities and removal of background of scattered electrons at the electron diffraction structure analysis. Izvestiya Akademii Nauk SSSR. Seria fizicheskaya. 23 (1959) 773-776 (In Russia).
    • (1959) Izvestiya Akademii Nauk SSSR. Seria Fizicheskaya , vol.23 , pp. 773-776
    • Bagdik'yants, G.O.1    Alexeev, A.G.2
  • 28
    • 0000716477 scopus 로고
    • Methods to measure properties of slow-scan CCD cameras for electron detection
    • De Ruijter, W. J.; Weiss, J. K.: Methods to measure properties of slow-scan CCD cameras for electron detection. Rev. Sci.Instr. 63 (1992) 4314-4321.
    • (1992) Rev. Sci.Instr. , vol.63 , pp. 4314-4321
    • De Ruijter, W.J.1    Weiss, J.K.2
  • 29
    • 0030291911 scopus 로고
    • Electron detection characteristics of slow-scan CCD camera
    • Zuo, J. M.: Electron detection characteristics of slow-scan CCD camera. Ultramicroscopy. 66 (1966) 21-23.
    • (1966) Ultramicroscopy , vol.66 , pp. 21-23
    • Zuo, J.M.1
  • 30
    • 0043043735 scopus 로고
    • Investigation of the intensities of electron diffraction by NH4Cl, NaCl, and TlCl films by using electrical recording and electron filter
    • Avilov, A. S.; Imamov, R. M.; Karakhanyan, R. K.; Pinsker, Z. G.: Investigation of the intensities of electron diffraction by NH4Cl, NaCl, and TlCl films by using electrical recording and electron filter. Sov. Phys. Crystallogr. 30 (1973) 30-32.
    • (1973) Sov. Phys. Crystallogr. , vol.30 , pp. 30-32
    • Avilov, A.S.1    Imamov, R.M.2    Karakhanyan, R.K.3    Pinsker, Z.G.4
  • 31
    • 0007016714 scopus 로고    scopus 로고
    • Complex of programms for the realization of study of ionic chemical bonding by the HRED
    • Abstracts. Chernogolovka. Inst. Crystallography RAS8
    • Kulygin, A. K.; Lepeshov, G. G.; Avilov, A. S.; Tsirelson, V. G.: Complex of programms for the realization of study of ionic chemical bonding by the HRED. XVIII Russian conference on electron microscopy. Abstracts. Chernogolovka. Inst. Crystallography RAS. 2000. P.58.
    • (2000) XVIII Russian Conference on Electron Microscopy , pp. 58
    • Kulygin, A.K.1    Lepeshov, G.G.2    Avilov, A.S.3    Tsirelson, V.G.4
  • 32
    • 0037205558 scopus 로고    scopus 로고
    • Quantitative analysis of the inner-crystal electrostatic potential in rock-salt crystals using accurate electron-diffraction data
    • Tsirelson, V. G.; Avilov, A. S.; Lepeshov, G. G.; Kulygin, A. K.; Stahn, J.; Pietsch, U.; Spence, J. C. H.: Quantitative Analysis of the Inner-Crystal Electrostatic Potential in Rock-Salt Crystals Using Accurate Electron-Diffraction Data. J. Phys. Chem. B105 (2001) 5068-5074.
    • (2001) J. Phys. Chem. , vol.B105 , pp. 5068-5074
    • Tsirelson, V.G.1    Avilov, A.S.2    Lepeshov, G.G.3    Kulygin, A.K.4    Stahn, J.5    Pietsch, U.6    Spence, J.C.H.7
  • 33
    • 84945095094 scopus 로고
    • On the average Coulomb potential and constraints on the electron density in crystals
    • O'Keeffe, M. A.; Spence, J. C. H.: On the average Coulomb potential and constraints on the electron density in crystals. Acta Cryst. A50 (1993) 33-45.
    • (1993) Acta Cryst. , vol.A50 , pp. 33-45
    • O'Keeffe, M.A.1    Spence, J.C.H.2
  • 35
    • 0001334331 scopus 로고
    • On the accurate measurement of structure-factor amplitudes and phases by electron diffraction
    • Spence, J. C. H.: On the accurate measurement of structure-factor amplitudes and phases by electron diffraction. Acta Cryst. A49 (1993) 231-260.
    • (1993) Acta Cryst. , vol.A49 , pp. 231-260
    • Spence, J.C.H.1
  • 38
    • 0043043738 scopus 로고
    • Magnetic shielding of nuclei in molecules
    • Ramsey, N. F.: Magnetic Shielding of nuclei in molecules. Phys. Rev. 78 (1950) 699703.
    • (1950) Phys. Rev. , vol.78 , pp. 699703
    • Ramsey, N.F.1
  • 42
    • 34547564932 scopus 로고
    • Forces in molecules
    • Hellmann, H.: Einführung in die Quantum-chemie, Deuticke: Leipzig
    • Feynman, R. P.: Forces in molecules, Phys. Rev. 56 (1939) 340-343; Hellmann, H.: Einführung in die Quantum-chemie, Deuticke: Leipzig, 1937.
    • (1937) Phys. Rev. , vol.56 , pp. 340-343
    • Feynman, R.P.1
  • 43
    • 0003872738 scopus 로고
    • v.C. (Ed. Wilson, A. J. C.) Dordrecht: Kluwer Academic Publishers
    • International Tables for Crystallography, v.C. (Ed. Wilson, A. J. C.) Dordrecht: Kluwer Academic Publishers, 1995.
    • (1995) International Tables for Crystallography
  • 44
    • 84913414021 scopus 로고
    • Net atomic charges and molecular dipole moments from spherical-atom x-ray refiment and the relation between atomic charge and shape
    • Coppens, P.; Guru Row, T. N.; Leung, P.; Stevens, E. D.; Becker, P. J.; Yang, Y. W.: Net atomic charges and molecular dipole moments from spherical-atom X-ray refiment and the relation between atomic charge and shape. Acta Cryct, A35 (1979) 63-72.
    • (1979) Acta Cryct , vol.A35 , pp. 63-72
    • Coppens, P.1    Guru Row, T.N.2    Leung, P.3    Stevens, E.D.4    Becker, P.J.5    Yang, Y.W.6
  • 46
    • 0000691182 scopus 로고
    • Application of electron diffraction to the study of the chemical bond in crystals
    • Vainshtein, B. K.: Application of electron diffraction to the study of the chemical bond in crystals. Quart. Rev. Chem. Soc. 14 (1960) 105-132.
    • (1960) Quart. Rev. Chem. Soc. , vol.14 , pp. 105-132
    • Vainshtein, B.K.1
  • 47
    • 0000226004 scopus 로고    scopus 로고
    • Electrostatic potential at the nucleus in atoms from 1/Z expansion
    • Wang, J.; Smith, V. H.: Electrostatic potential at the nucleus in atoms from 1/Z expansion. Mol. Physics, 90 (1997) 1027-1929.
    • (1997) Mol. Physics , vol.90 , pp. 1027-1929
    • Wang, J.1    Smith, V.H.2
  • 48
    • 0001292037 scopus 로고
    • On the interpretation of k-shell electron binding energy chemical shifts in molecules
    • Basch, H.: On the interpretation of k-shell electron binding energy chemical shifts in molecules. Chem. Phys. Lett, 6 (1970) 337-339.
    • (1970) Chem. Phys. Lett. , vol.6 , pp. 337-339
    • Basch, H.1
  • 49
    • 0000213785 scopus 로고
    • Correlation of 1s binding energy with the average quantum mechanical potential at a nucleus
    • Schwarz, M. E.: Correlation of 1s binding energy with the average quantum mechanical potential at a nucleus. Chem. Phys. Lett. 6 (1970) 631-636.
    • (1970) Chem. Phys. Lett. , vol.6 , pp. 631-636
    • Schwarz, M.E.1
  • 50
    • 0000447970 scopus 로고    scopus 로고
    • 3 analysis of the atomic interactions
    • 3 analysis of the atomic interactions. Acta Cryst. B56 (2000) 197-203.; Ivanov, Yu,V.; Tsireslon, V. G.: Calculation of the local energy characteristics on the data of X-ray experiments, Russian National Conference on Crystal Chemistry. Abstracts. Chemogolovka: Inst. Problems of Chem. Physics, 2000, p. 207.
    • (2000) Acta Cryst. , vol.B56 , pp. 197-203
    • Tsirelson, V.1    Ivanov, Yu.2    Zhurova, E.3    Zhurov, V.4    Tanaka, K.5
  • 51
    • 0000447970 scopus 로고    scopus 로고
    • Calculation of the local energy characteristics on the data of x-ray experiments
    • Abstracts. Chemogolovka: Inst. Problems of Chem. Physics
    • 3 analysis of the atomic interactions. Acta Cryst. B56 (2000) 197-203.; Ivanov, Yu,V.; Tsireslon, V. G.: Calculation of the local energy characteristics on the data of X-ray experiments, Russian National Conference on Crystal Chemistry. Abstracts. Chemogolovka: Inst. Problems of Chem. Physics, 2000, p. 207.
    • (2000) Russian National Conference on Crystal Chemistry , pp. 207
    • Ivanov, Yu.V.1    Tsireslon, V.G.2
  • 53
    • 0003104988 scopus 로고
    • Structural homeomorphism between the electronic charge density and the nuclear potential of a molecular system
    • Tal, Y.; Bader, R. F. W.; Erkku, R.: Structural homeomorphism between the electronic charge density and the nuclear potential of a molecular system. Phys. Rev. A21 (1980) 1-11.
    • (1980) Phys. Rev. , vol.A21 , pp. 1-11
    • Tal, Y.1    Bader, R.F.W.2    Erkku, R.3
  • 56
    • 0001673057 scopus 로고
    • Determination of anomalous scattering from X-ray resonant-scattering-induced Pendellosung fringes: Ge
    • Fukamachi, T.; Yoshizawa, M.; Ehara, K.; Kawamura, T.; Nakajima T.: Determination of anomalous scattering from X-ray resonant-scattering-induced Pendellosung fringes: Ge, Acta Cryst. A46 (1990) 945-948.
    • (1990) Acta Cryst. , vol.A46 , pp. 945-948
    • Fukamachi, T.1    Yoshizawa, M.2    Ehara, K.3    Kawamura, T.4    Nakajima, T.5
  • 57
    • 0000446318 scopus 로고
    • An electron density study of germanium: Evaluation of the available experimental data
    • Brown, A. S.; Spackman, M. A.: An electron density study of germanium: evaluation of the available experimental data. Acta Cryst. A46 (1990) 381-387.
    • (1990) Acta Cryst. , vol.A46 , pp. 381-387
    • Brown, A.S.1    Spackman, M.A.2
  • 58
    • 0001516126 scopus 로고
    • Electronic charge distribution in crystalline diamond, silicon, and germanium
    • Lu, Z. W.; Zunger, A.; Deutsch M.: Electronic charge distribution in crystalline diamond, silicon, and germanium. Phys. Rev. B47 (1993) 9385-9410.
    • (1993) Phys. Rev. , vol.B47 , pp. 9385-9410
    • Lu, Z.W.1    Zunger, A.2    Deutsch, M.3
  • 59
    • 0001347641 scopus 로고
    • Electronic charge distribution in crystalline germanium
    • Lu, Z. W.; Zunger, A.; Deutsch M.: Electronic charge distribution in crystalline germanium. Phys. Rev. B52 (1995) 11904-11911.
    • (1995) Phys. Rev. , vol.B52 , pp. 11904-11911
    • Lu, Z.W.1    Zunger, A.2    Deutsch, M.3
  • 60
    • 0002413108 scopus 로고    scopus 로고
    • A topological analysis of charge densities in diamond, silicon and germanium
    • Abramov, Yu. A.; Okamura, F. P.: A topological analysis of charge densities in diamond, silicon and germanium, Acta Cryst. A53 (1997) 187-198.
    • (1997) Acta Cryst. , vol.A53 , pp. 187-198
    • Abramov, Yu.A.1    Okamura, F.P.2
  • 61
    • 0009655932 scopus 로고
    • A summary of low-angle x-ray atomic scattering factors measured by critical voltage effect in high energy electron diffraction
    • Fox, A. G.; Fisher, R. M.: A summary of low-angle X-ray atomic scattering factors measured by critical voltage effect in high energy electron diffraction. Aust. J. Phys. 41 (1988) 461-468.
    • (1988) Aust. J. Phys. , vol.41 , pp. 461-468
    • Fox, A.G.1    Fisher, R.M.2
  • 62
    • 0035744180 scopus 로고    scopus 로고
    • Multipole analysis of the electron density and electrostatic potential in germanium by high-resolution electron diffraction
    • Avilov, A.; Lepeshov, G.; Pietsch, U.; Tsirelson, V.: Multipole analysis of the electron density and electrostatic potential in germanium by high-resolution electron diffraction J. Phys. Chem. Solids. 62 (2001) 2135-2142.
    • (2001) J. Phys. Chem. Solids , vol.62 , pp. 2135-2142
    • Avilov, A.1    Lepeshov, G.2    Pietsch, U.3    Tsirelson, V.4
  • 63
    • 0023849997 scopus 로고
    • X-ray scattering factors of crystalline silicon and germanium from a bond charge model
    • Balbas, L. C.; Rubio, A.; Alonso, J. A.; March, N.; Borstel, H. G.: X-ray scattering factors of crystalline silicon and germanium from a bond charge model. J. Phys. Chem. Solids 49 (1988) 1013-1017.
    • (1988) J. Phys. Chem. Solids , vol.49 , pp. 1013-1017
    • Balbas, L.C.1    Rubio, A.2    Alonso, J.A.3    March, N.4    Borstel, H.G.5
  • 64
    • 84931270541 scopus 로고
    • Testing aspherical atom refinements on smallmolecular data sets
    • Hansen, N. K.; Coppens, P.: Testing aspherical atom refinements on smallmolecular data sets. Acta Cryst. A34 (1978) 909-922.
    • (1978) Acta Cryst. , vol.A34 , pp. 909-922
    • Hansen, N.K.1    Coppens, P.2
  • 65
    • 0016267973 scopus 로고
    • Roothaan-Hartree-Fock Atomic Wave-functions
    • Clementi, E.; Roetti, C.: Roothaan-Hartree-Fock Atomic Wave-functions. At. Data Nucl. Data Tables. 14 (1974) 177-478.
    • (1974) At. Data Nucl. Data Tables , vol.14 , pp. 177-478
    • Clementi, E.1    Roetti, C.2
  • 67
    • 84977297852 scopus 로고
    • A topological definition of a Wigner-Seitz cell and atomic scattering factor
    • Zou, P. F.; Bader, R. F. W.: A topological definition of a Wigner-Seitz cell and atomic scattering factor. Acta Cryst. A50 (1995) 714-724.
    • (1995) Acta Cryst. , vol.A50 , pp. 714-724
    • Zou, P.F.1    Bader, R.F.W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.