메뉴 건너뛰기




Volumn 117, Issue 17, 2013, Pages 8959-8967

A combined NMR and DFT study of narrow gap semiconductors: The case of PbTe

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ALTERNATIVE APPROACH; CHEMICAL SHIELDING; CONCENTRATION-DEPENDENT; NARROW-GAP SEMICONDUCTORS; NMR SPIN-LATTICE RELAXATION; RESONANCE FREQUENCIES; SELF-CLEANING EFFECTS;

EID: 84877047695     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3101877     Document Type: Article
Times cited : (31)

References (66)
  • 2
    • 84877073908 scopus 로고
    • Knight Shifts and Band Structure in Lead Telluride by Helicon-Nuclear-Spin Interaction
    • Sapoval, B. Knight Shifts and Band Structure in Lead Telluride by Helicon-Nuclear-Spin Interaction J. Phys. (Paris), Suppl. 1968, 29, C4-133-C4-136
    • (1968) J. Phys. (Paris), Suppl. , vol.29
    • Sapoval, B.1
  • 4
    • 25344471738 scopus 로고
    • Knight Shift in Multivalley Semiconductors. I. Theory of Contact, Orbital, and Dipolar Shift and Relativistic Effects
    • Sapoval, B.; Leloup, J. Y. Knight Shift in Multivalley Semiconductors. I. Theory of Contact, Orbital, and Dipolar Shift and Relativistic Effects Phys. Rev. B 1973, 7, 5272-5276
    • (1973) Phys. Rev. B , vol.7 , pp. 5272-5276
    • Sapoval, B.1    Leloup, J.Y.2
  • 5
    • 33644836104 scopus 로고
    • Knight Shift in Multivalley Semiconductors. II. Determination of the Hyperfine Coupling Constants in n - And p -Type PbSe and PbTe
    • Leloup, J. Y.; Sapoval, B.; Martinez, G. Knight Shift in Multivalley Semiconductors. II. Determination of the Hyperfine Coupling Constants in n-and p -Type PbSe and PbTe Phys. Rev. B 1973, 7, 5276-5284
    • (1973) Phys. Rev. B , vol.7 , pp. 5276-5284
    • Leloup, J.Y.1    Sapoval, B.2    Martinez, G.3
  • 6
    • 0005136479 scopus 로고
    • xTe: An Experimental Determination of k - · p - nd Parameters and Magnetic Hyperfine Constants
    • xTe: An Experimental Determination of k-· p-Band Parameters and Magnetic Hyperfine Constants Phys. Rev. B 1973, 7, 5195-5211
    • (1973) Phys. Rev. B , vol.7 , pp. 5195-5211
    • Hewes, C.R.1    Adler, M.S.2    Senturia, S.D.3
  • 7
    • 0001658107 scopus 로고
    • Electronic structure of PbSe and PbTe. I. Band Structures, Densities of States, and Effective Masses
    • Martinez, G.; Schlüter, M.; Cohen, M. L. Electronic structure of PbSe and PbTe. I. Band Structures, Densities of States, and Effective Masses Phys. Rev. B 1975, 11, 651-659
    • (1975) Phys. Rev. B , vol.11 , pp. 651-659
    • Martinez, G.1    Schlüter, M.2    Cohen, M.L.3
  • 8
    • 0000511086 scopus 로고
    • Nuclear Magnetic Resonance Shift in Metals
    • Knight, W. D. Nuclear Magnetic Resonance Shift in Metals Phys. Rev. 1949, 76, 1259-1260
    • (1949) Phys. Rev. , vol.76 , pp. 1259-1260
    • Knight, W.D.1
  • 9
    • 36149012226 scopus 로고
    • The Dependence of a Nuclear Magnetic Resonance Frequency upon Chemical Compound
    • Proctor, W. G.; Yu, F. C. The Dependence of a Nuclear Magnetic Resonance Frequency upon Chemical Compound Phys. Rev. 1950, 77, 717-717
    • (1950) Phys. Rev. , vol.77 , pp. 717-717
    • Proctor, W.G.1    Yu, F.C.2
  • 10
    • 0003588458 scopus 로고
    • Dependence of the F19 Nuclear Resonance Position on Chemical Compound
    • Dickenson, W. C. Dependence of the F19 Nuclear Resonance Position on Chemical Compound Phys. Rev. 1950, 77, 736-737
    • (1950) Phys. Rev. , vol.77 , pp. 736-737
    • Dickenson, W.C.1
  • 12
    • 0000325536 scopus 로고
    • 207Pb MAS Spectra of Solid Lead Nitrate. An Accurate, Sensitive Thermometer for Variable-Temperature MAS
    • 207Pb MAS Spectra of Solid Lead Nitrate. An Accurate, Sensitive Thermometer for Variable-Temperature MAS J. Magn. Reson. A 1995, 116, 215-220
    • (1995) J. Magn. Reson. A , vol.116 , pp. 215-220
    • Bielecki, A.1    Burum, D.P.2
  • 13
    • 0029369821 scopus 로고
    • Transient Methods for in Situ NMR of Reactions on Solid Catalysts Using Temperature Jumps
    • Ferguson, D. B.; Haw, J. F. Transient Methods for in Situ NMR of Reactions on Solid Catalysts Using Temperature Jumps Anal. Chem. 1995, 67, 3342-3348
    • (1995) Anal. Chem. , vol.67 , pp. 3342-3348
    • Ferguson, D.B.1    Haw, J.F.2
  • 14
    • 84989045935 scopus 로고
    • Solid-State Lead-207 NMR of Lead(II) Nitrate: Localized Heating Effects at High Magic Angle Spinning Speeds
    • van Gorkom, L. C. M.; Hook, J. M.; Logan, M. B.; Hann, J. V.; Wasylishen, R. E. Solid-State Lead-207 NMR of Lead(II) Nitrate: Localized Heating Effects at High Magic Angle Spinning Speeds Magn. Reson. Chem. 1995, 33, 791-795
    • (1995) Magn. Reson. Chem. , vol.33 , pp. 791-795
    • Van Gorkom, L.C.M.1    Hook, J.M.2    Logan, M.B.3    Hann, J.V.4    Wasylishen, R.E.5
  • 15
    • 0029414494 scopus 로고
    • 207Pb NMR Detection of Spinning-Induced Temperature Gradients in MAS Rotors
    • 207Pb NMR Detection of Spinning-Induced Temperature Gradients in MAS Rotors Solid State NMR 1995, 5, 269-271
    • (1995) Solid State NMR , vol.5 , pp. 269-271
    • Mildner, T.1    Ernst, H.2    Freude, D.3
  • 16
    • 0031060776 scopus 로고    scopus 로고
    • Determining Temperature in a Magic-Angle Spinning Probe Using the Temperature Dependence of the Isotropic Chemical Shift of Lead Nitrate
    • Neue, G.; Dybowski, C. Determining Temperature in a Magic-Angle Spinning Probe Using the Temperature Dependence of the Isotropic Chemical Shift of Lead Nitrate Solid State NMR 1997, 7, 333-336
    • (1997) Solid State NMR , vol.7 , pp. 333-336
    • Neue, G.1    Dybowski, C.2
  • 17
    • 0033216388 scopus 로고    scopus 로고
    • 207Pb Chemical Shift Thermometer at High Temperature for Magic Angle Spinning Experiments
    • 207Pb Chemical Shift Thermometer at High Temperature for Magic Angle Spinning Experiments Solid State NMR 1999, 15, 119-123
    • (1999) Solid State NMR , vol.15 , pp. 119-123
    • Takahashi, T.1    Kawashima, H.2    Sugisawa, H.3    Baba, T.4
  • 18
    • 0000365067 scopus 로고    scopus 로고
    • A Thermometer for Nonspinning Solid-State NMR Spectroscopy
    • Beckmann, P. A.; Dybowski, C. A Thermometer for Nonspinning Solid-State NMR Spectroscopy J. Magn. Reson. 2000, 146, 379-380
    • (2000) J. Magn. Reson. , vol.146 , pp. 379-380
    • Beckmann, P.A.1    Dybowski, C.2
  • 21
    • 33745315198 scopus 로고
    • Nuclear Magnetic Resonance Spectra from a Crystal Rotated at High Speed
    • Andrew, E. R.; Bradbury, A.; Eades, R. G. Nuclear Magnetic Resonance Spectra from a Crystal Rotated at High Speed Nature 1958, 182, 1659
    • (1958) Nature , vol.182 , pp. 1659
    • Andrew, E.R.1    Bradbury, A.2    Eades, R.G.3
  • 22
    • 4043165350 scopus 로고
    • Removal of Dipolar Broadening of Nuclear Magnetic Resonance Spectra of Solids by Specimen Rotation
    • Andrew, E. R.; Bradbury, A.; Eades, R. G. Removal of Dipolar Broadening of Nuclear Magnetic Resonance Spectra of Solids by Specimen Rotation Nature 1959, 183, 1802-1803
    • (1959) Nature , vol.183 , pp. 1802-1803
    • Andrew, E.R.1    Bradbury, A.2    Eades, R.G.3
  • 23
    • 36149028286 scopus 로고
    • Free Induction Decays of Rotating Solids
    • Lowe, I. J. Free Induction Decays of Rotating Solids Phys. Rev. Lett. 1959, 2, 285-287
    • (1959) Phys. Rev. Lett. , vol.2 , pp. 285-287
    • Lowe, I.J.1
  • 27
    • 0001023831 scopus 로고    scopus 로고
    • 125Te Chemical Shifts Using Gauge-Including Atomic Orbitals and Density Functional Theory
    • 125Te Chemical Shifts Using Gauge-Including Atomic Orbitals and Density Functional Theory J. Phys. Chem. A 1997, 101 (2) 4121-4127
    • (1997) J. Phys. Chem. A , vol.101 , Issue.2 , pp. 4121-4127
    • Ruiz-Morales, Y.1    Schreckenbach, G.2    Ziegler, T.3
  • 28
    • 23844503026 scopus 로고    scopus 로고
    • Quasirelativistic Theory for the Magnetic Shielding Constant. III. Quasirelativistic Second-Order Møller-Plesset Perturbation Theory and Its Application to Tellurium Compounds
    • Fukuda, R.; Nakatsuji, H. Quasirelativistic Theory for the Magnetic Shielding Constant. III. Quasirelativistic Second-Order Møller-Plesset Perturbation Theory and Its Application to Tellurium Compounds J. Chem. Phys. 2005, 123, 044101
    • (2005) J. Chem. Phys. , vol.123 , pp. 044101
    • Fukuda, R.1    Nakatsuji, H.2
  • 32
    • 4243553426 scopus 로고
    • Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior
    • Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A 1988, 38, 3098-3100
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 33
    • 5944261746 scopus 로고
    • Density-Functional Approximation for the Correlation Energy of the Inhomogeneous Electron Gas
    • Perdew, J. P. Density-Functional Approximation for the Correlation Energy of the Inhomogeneous Electron Gas Phys. Rev. B 1986, 33, 8822-8824
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 34
  • 35
    • 0000458921 scopus 로고    scopus 로고
    • Geometry Optimizations in the Zero Order Regular Approximation for Relativistic Effects
    • van Lenthe, E.; Ehlers, A.; Baerends, E. J. Geometry Optimizations in the Zero Order Regular Approximation for Relativistic Effects J. Chem. Phys. 1999, 110, 8943-8953
    • (1999) J. Chem. Phys. , vol.110 , pp. 8943-8953
    • Van Lenthe, E.1    Ehlers, A.2    Baerends, E.J.3
  • 36
    • 0000797458 scopus 로고
    • Calculation of NMR Shielding Tensors Using Gauge-Including Atomic Orbitals and Modern Density Functional Theory
    • Schreckenbach, G.; Ziegler, T. Calculation of NMR Shielding Tensors Using Gauge-Including Atomic Orbitals and Modern Density Functional Theory J. Phys. Chem. 1995, 99, 606-611
    • (1995) J. Phys. Chem. , vol.99 , pp. 606-611
    • Schreckenbach, G.1    Ziegler, T.2
  • 38
    • 33646132070 scopus 로고    scopus 로고
    • Distributions of Conduction Electrons as Manifested in MAS NMR of Gallium Nitride
    • Yesinowski, J. P.; Purdy, A. P.; Wu, H.; Spencer, M. G.; Hunting, J.; DiSalvo, F. J. Distributions of Conduction Electrons as Manifested in MAS NMR of Gallium Nitride J. Am. Chem. Soc. 2006, 128 (15) 4952-4953
    • (2006) J. Am. Chem. Soc. , vol.128 , Issue.15 , pp. 4952-4953
    • Yesinowski, J.P.1    Purdy, A.P.2    Wu, H.3    Spencer, M.G.4    Hunting, J.5    Disalvo, F.J.6
  • 39
    • 0015774535 scopus 로고
    • Growth and Application of Epitaxial IV-VI Compounds
    • Holloway, H. Growth and Application of Epitaxial IV-VI Compounds J. Nonmet. 1973, 1, 347-354
    • (1973) J. Nonmet. , vol.1 , pp. 347-354
    • Holloway, H.1
  • 40
    • 27344437636 scopus 로고    scopus 로고
    • 14N High-Field NMR of Gallium Nitride Films
    • 14N High-Field NMR of Gallium Nitride Films Phys. Status Solidi 2005, 2 (7) 2399-2402
    • (2005) Phys. Status Solidi , vol.2 , Issue.7 , pp. 2399-2402
    • Yesinowski, J.P.1
  • 41
    • 80455125742 scopus 로고    scopus 로고
    • Solid-State NMR of Inorganic Semiconductors
    • Yesinowski, J. P. Solid-State NMR of Inorganic Semiconductors Top. Curr. Chem. 2012, 306, 229-312
    • (2012) Top. Curr. Chem. , vol.306 , pp. 229-312
    • Yesinowski, J.P.1
  • 42
    • 0000227063 scopus 로고
    • NMR Study of Si:As and Si:P near the Metal-Insulator Transition
    • Hirsch, M. J.; Holcomb, D. F. NMR Study of Si:As and Si:P near the Metal-Insulator Transition Phys. Rev. B 1986, 33, 2520-2529
    • (1986) Phys. Rev. B , vol.33 , pp. 2520-2529
    • Hirsch, M.J.1    Holcomb, D.F.2
  • 45
    • 34249962133 scopus 로고
    • Knight Shift in PbTe and Pb1- x Sn x Te
    • Misra, C. M.; Tripathi, G. S. Knight Shift in PbTe AND Pb1- x Sn x Te Hyperfine Interact. 1990, 60, 619-622
    • (1990) Hyperfine Interact. , vol.60 , pp. 619-622
    • Misra, C.M.1    Tripathi, G.S.2
  • 47
    • 84865127692 scopus 로고    scopus 로고
    • Spin-Lattice Relaxation in Bismuth Chalcogenides
    • Taylor, R. E.; Leung, B.; Lake, M. P.; Bouchard, L. S. Spin-Lattice Relaxation in Bismuth Chalcogenides J. Phys. Chem. C 2012, 116 (32) 17300-17305
    • (2012) J. Phys. Chem. C , vol.116 , Issue.32 , pp. 17300-17305
    • Taylor, R.E.1    Leung, B.2    Lake, M.P.3    Bouchard, L.S.4
  • 48
    • 0015769918 scopus 로고
    • Nuclear Spin Relaxation Study of the Electronic Structure of Lead Telluride
    • Alexander, M. N.; Sagalyn, P. L.; Senturia, S. D.; Hewes, C. R. Nuclear Spin Relaxation Study of the Electronic Structure of Lead Telluride J. Nonmet. 1973, 1, 251
    • (1973) J. Nonmet. , vol.1 , pp. 251
    • Alexander, M.N.1    Sagalyn, P.L.2    Senturia, S.D.3    Hewes, C.R.4
  • 50
    • 36149021394 scopus 로고
    • Nuclear Spin Relaxation in Transition Metals; Core Polarization
    • Yafet, Y.; Jaccarino, V. Nuclear Spin Relaxation in Transition Metals; Core Polarization Phys. Rev. 1964, 133, A1630-A1637
    • (1964) Phys. Rev. , vol.133
    • Yafet, Y.1    Jaccarino, V.2
  • 51
    • 55749100996 scopus 로고    scopus 로고
    • 207Pb NMR Parameters for the Solid Ionic Lead (II) Halides Using the Relativistic ZORA-DFT Formalism: Comparison with the Lead-Containing Molecular Systems
    • 207Pb NMR Parameters for the Solid Ionic Lead (II) Halides Using the Relativistic ZORA-DFT Formalism: Comparison with the Lead-Containing Molecular Systems Solid State Nucl. Magn. Reson. 2008, 34, 186-190
    • (2008) Solid State Nucl. Magn. Reson. , vol.34 , pp. 186-190
    • Dmitrenko, O.1    Bai, S.2    Dybowski, C.3
  • 52
    • 0042841344 scopus 로고
    • Charge Distribution and Atomic Thermal Vibration in Lead Chalcogenide Crystals
    • Noda, Y.; Ohba, S.; Sato, S.; Saito, Y. Charge Distribution and Atomic Thermal Vibration in Lead Chalcogenide Crystals Acta Crystallogr., Sect B: Struct. Sci. 1983, 39, 312-317
    • (1983) Acta Crystallogr., Sect B: Struct. Sci. , vol.39 , pp. 312-317
    • Noda, Y.1    Ohba, S.2    Sato, S.3    Saito, Y.4
  • 55
    • 33746608429 scopus 로고
    • 125Te Nuclear Magnetic Resonance Investigations in II-VI and IV-VI Compounds
    • 125Te Nuclear Magnetic Resonance Investigations in II-VI and IV-VI Compounds Z. Phys. A: Hadrons and Nuclei 1978, 289, 17-20
    • (1978) Z. Phys. A: Hadrons and Nuclei , vol.289 , pp. 17-20
    • Koch, W.1    Lutz, O.2    Nolle, A.3
  • 56
    • 84856729201 scopus 로고    scopus 로고
    • 1H Spin-Lattice Relaxation in an Organic Solid, and the Analysis of Non-exponential Relaxation
    • 1H Spin-Lattice Relaxation in an Organic Solid, and the Analysis of Non-exponential Relaxation J. Chem. Phys. 2012, 136, 054508
    • (2012) J. Chem. Phys. , vol.136 , pp. 054508
    • Beckmann, P.A.1    Schneider, E.2
  • 59
    • 84893491852 scopus 로고    scopus 로고
    • Synthesis and processing of nanostructured thermoelectric materials
    • In (STR-V12-N3-01-FTG); Vol. Number 3.
    • Lim, P. N. Synthesis and processing of nanostructured thermoelectric materials. In SIMTech Technical Reports (STR-V12-N3-01-FTG); Vol. 12 Number 3, 2011.
    • (2011) SIMTech Technical Reports , vol.12
    • Lim, P.N.1
  • 60
    • 0033878018 scopus 로고    scopus 로고
    • Mechanical Alloying and Sintering of Lead Telluride
    • Bouad, N.; Marin-Ayral, R. M.; Tedenac, J. C. Mechanical Alloying and Sintering of Lead Telluride J. Alloys Compd. 2000, 297 (1-2) 312-318
    • (2000) J. Alloys Compd. , vol.297 , Issue.12 , pp. 312-318
    • Bouad, N.1    Marin-Ayral, R.M.2    Tedenac, J.C.3
  • 61
    • 34249887889 scopus 로고    scopus 로고
    • PbTe Nanocomposites Synthesized from PbTe Nanocrystals
    • Martin, J.; Nolas, G. S.; Zhang, W.; Chen, L. PbTe Nanocomposites Synthesized from PbTe Nanocrystals Appl. Phys. Lett. 2007, 90, 222112-222112-3
    • (2007) Appl. Phys. Lett. , vol.90 , pp. 222112-2221123
    • Martin, J.1    Nolas, G.S.2    Zhang, W.3    Chen, L.4
  • 62
    • 0029247593 scopus 로고
    • Formation of PbTe Intermetallic Compound by Mechanical Alloying of Elemental Pb and Te Powders
    • Oh, T. S.; Choi, J.; Hyun, D. B. Formation of PbTe Intermetallic Compound by Mechanical Alloying of Elemental Pb and Te Powders Scr. Metall. Mater. 1995, 32 (4) 595-600
    • (1995) Scr. Metall. Mater. , vol.32 , Issue.4 , pp. 595-600
    • Oh, T.S.1    Choi, J.2    Hyun, D.B.3
  • 63
    • 0033878018 scopus 로고    scopus 로고
    • Mechanical Alloying and Sintering of Lead Telluride
    • Bouad, N.; Marin-Ayral, R. M.; Tedenac, J. S. Mechanical Alloying and Sintering of Lead Telluride J. Alloys Compd. 2000, 297, 312-318
    • (2000) J. Alloys Compd. , vol.297 , pp. 312-318
    • Bouad, N.1    Marin-Ayral, R.M.2    Tedenac, J.S.3
  • 66
    • 78650706141 scopus 로고    scopus 로고
    • Electrical and Ionic Conductivity Effects on Magic-Angle Spinning Nuclear Magnetic Resonance Parameters of CuI
    • Yesinowski, J. P.; Ladouceur, H. D.; Purdy, A. P.; Miller, J. B. Electrical and Ionic Conductivity Effects on Magic-Angle Spinning Nuclear Magnetic Resonance Parameters of CuI J. Chem. Phys. 2010, 133, 234509
    • (2010) J. Chem. Phys. , vol.133 , pp. 234509
    • Yesinowski, J.P.1    Ladouceur, H.D.2    Purdy, A.P.3    Miller, J.B.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.