-
1
-
-
81755184763
-
Lead Telluride Alloy Thermoelectrics
-
LaLonde, A. D.; Pei, Y.; Wang, H.; Snyder, G. J. Lead Telluride Alloy Thermoelectrics Mater. Today 2011, 14, 526-532
-
(2011)
Mater. Today
, vol.14
, pp. 526-532
-
-
Lalonde, A.D.1
Pei, Y.2
Wang, H.3
Snyder, G.J.4
-
2
-
-
38849174818
-
Complex Thermoelectric Materials
-
Snyder, G. J.; Toberer, E. S. Complex Thermoelectric Materials Nat. Mater. 2008, 7, 105-114
-
(2008)
Nat. Mater.
, vol.7
, pp. 105-114
-
-
Snyder, G.J.1
Toberer, E.S.2
-
3
-
-
48249152189
-
Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States
-
Heremans, J. P.; Jovovic, V.; Toberer, E. S.; Saramat, A.; Kurosaki, K.; Charoenphakdee, A.; Yamanaka, S.; Snyder, G. J. Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States Science 2008, 321, 554-557
-
(2008)
Science
, vol.321
, pp. 554-557
-
-
Heremans, J.P.1
Jovovic, V.2
Toberer, E.S.3
Saramat, A.4
Kurosaki, K.5
Charoenphakdee, A.6
Yamanaka, S.7
Snyder, G.J.8
-
4
-
-
79955593066
-
High Thermoelectric Figure of Merit in Heavy Hole Dominated PbTe
-
Pei, Y.; LaLonde, A.; Iwanaga, S.; Snyder, G. J. High Thermoelectric Figure of Merit in Heavy Hole Dominated PbTe Energy Environ. Sci. 2011, 4, 2085-2089
-
(2011)
Energy Environ. Sci.
, vol.4
, pp. 2085-2089
-
-
Pei, Y.1
Lalonde, A.2
Iwanaga, S.3
Snyder, G.J.4
-
5
-
-
4644360679
-
Shape Evolution and Self Assembly of Monodisperse PbTe Nanocrystals
-
Lu, W.; Fang, J.; Stokes, K. L.; Lin, J. Shape Evolution and Self Assembly of Monodisperse PbTe Nanocrystals J. Am. Chem. Soc. 2004, 126, 11798-11799
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 11798-11799
-
-
Lu, W.1
Fang, J.2
Stokes, K.L.3
Lin, J.4
-
6
-
-
34547858875
-
Shape, Size, and Assembly Control of PbTe Nanocrystals
-
Mokari, T.; Zhang, M.; Yang, P. Shape, Size, and Assembly Control of PbTe Nanocrystals J. Am. Chem. Soc. 2007, 129, 9864-9865
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 9864-9865
-
-
Mokari, T.1
Zhang, M.2
Yang, P.3
-
7
-
-
55849150977
-
A Simple Chemical Approach for PbTe Nanowires with Enhanced Thermoelectric Properties
-
Yan, Q.; Chen, H.; Zhou, W.; Hng, H. H.; Boey, F. Y. C.; Ma, J. A Simple Chemical Approach for PbTe Nanowires with Enhanced Thermoelectric Properties Chem. Mater. 2008, 20, 6298-6300
-
(2008)
Chem. Mater.
, vol.20
, pp. 6298-6300
-
-
Yan, Q.1
Chen, H.2
Zhou, W.3
Hng, H.H.4
Boey, F.Y.C.5
Ma, J.6
-
8
-
-
35348977776
-
Synthesis and Thermoelectrical Characterization of Lead Chalcogenide Nanowires
-
Fardy, M.; Hochbaum, A. I.; Goldberger, J.; Zhang, M. M.; Yang, P. Synthesis and Thermoelectrical Characterization of Lead Chalcogenide Nanowires Adv. Mater. 2007, 19, 3047-3051
-
(2007)
Adv. Mater.
, vol.19
, pp. 3047-3051
-
-
Fardy, M.1
Hochbaum, A.I.2
Goldberger, J.3
Zhang, M.M.4
Yang, P.5
-
9
-
-
67649418002
-
Synthesis and Thermoelectric Properties of PbTe Nanorods and Microcubes
-
Wan, B.; Hu, C.; Feng, B.; Xi, Y.; He, X. Synthesis and Thermoelectric Properties of PbTe Nanorods and Microcubes Mater. Sci. Eng., B 2009, 163, 57-61
-
(2009)
Mater. Sci. Eng., B
, vol.163
, pp. 57-61
-
-
Wan, B.1
Hu, C.2
Feng, B.3
Xi, Y.4
He, X.5
-
10
-
-
0001421454
-
Zur Frage der Geschwindigkeit des Wachstums und der Auflösung von Krystallflächen
-
[in German]
-
Wulff, G. Zur Frage der Geschwindigkeit des Wachstums und der Auflösung von Krystallflächen Z. Krystallogr. Mineral. 1901, 34, 449-530 [in German]
-
(1901)
Z. Krystallogr. Mineral.
, vol.34
, pp. 449-530
-
-
Wulff, G.1
-
11
-
-
75749144278
-
Energetics of Polar and Nonpolar Facets of PbSe Nanocrystals from Theory and Experiment
-
Fang, C.; van Huis, M. A.; Vanmaekelbergh, D.; Zandbergen, H. W. Energetics of Polar and Nonpolar Facets of PbSe Nanocrystals from Theory and Experiment ACS Nano 2010, 4, 211-218
-
(2010)
ACS Nano
, vol.4
, pp. 211-218
-
-
Fang, C.1
Van Huis, M.A.2
Vanmaekelbergh, D.3
Zandbergen, H.W.4
-
12
-
-
77958027864
-
Morphological Transformations and Fusion of PbSe Nanocrystals Studied Using Atomistic Simulations
-
Schapotschnikow, P.; van Huis, M. A.; Zandbergen, H. W.; Vanmaekelbergh, D.; Vlugt, T. J. H. Morphological Transformations and Fusion of PbSe Nanocrystals Studied Using Atomistic Simulations Nano Lett. 2010, 10, 3966-3971
-
(2010)
Nano Lett.
, vol.10
, pp. 3966-3971
-
-
Schapotschnikow, P.1
Van Huis, M.A.2
Zandbergen, H.W.3
Vanmaekelbergh, D.4
Vlugt, T.J.H.5
-
13
-
-
34548644181
-
The Effects of Exchange and Correlation on the Computed Equilibrium Shapes of Wet MgO Crystallites
-
Finocchi, F.; Goniakowski, J. The Effects of Exchange and Correlation on the Computed Equilibrium Shapes of Wet MgO Crystallites Surf. Sci. 2007, 601, 4144-4148
-
(2007)
Surf. Sci.
, vol.601
, pp. 4144-4148
-
-
Finocchi, F.1
Goniakowski, J.2
-
15
-
-
84884292046
-
Stability of Pristine and Defective SnTe Surfaces from First Principles
-
Deringer, V. L.; Dronskowski, R. Stability of Pristine and Defective SnTe Surfaces from First Principles ChemPhysChem 2013, 14, 3108-3111
-
(2013)
ChemPhysChem
, vol.14
, pp. 3108-3111
-
-
Deringer, V.L.1
Dronskowski, R.2
-
16
-
-
0000064066
-
Ab Initio Relativistic Pseudopotential Study of the Zero-Temperature Structural Properties of SnTe and PbTe
-
Rabe, K. M.; Joannopoulos, J. D. Ab Initio Relativistic Pseudopotential Study of the Zero-Temperature Structural Properties of SnTe and PbTe Phys. Rev. B 1985, 32, 2302-2314
-
(1985)
Phys. Rev. B
, vol.32
, pp. 2302-2314
-
-
Rabe, K.M.1
Joannopoulos, J.D.2
-
17
-
-
0001385882
-
Electronic and Structural Anomalies in Lead Chalcogenides
-
Wei, S.-H.; Zunger, A. Electronic and Structural Anomalies in Lead Chalcogenides Phys. Rev. B 1997, 55, 13605-13610
-
(1997)
Phys. Rev. B
, vol.55
, pp. 13605-13610
-
-
Wei, S.-H.1
Zunger, A.2
-
18
-
-
0037882097
-
First-Principles Indicators of Metallicity and Cation Off-Centricity in the IV-VI Rocksalt Chalcogenides of Divalent Ge, Sn, and Pb
-
Waghmare, U. V.; Spaldin, N. A.; Kandpal, H. C.; Seshadri, R. First-Principles Indicators of Metallicity and Cation Off-Centricity in the IV-VI Rocksalt Chalcogenides of Divalent Ge, Sn, and Pb Phys. Rev. B 2003, 67, 125111
-
(2003)
Phys. Rev. B
, vol.67
, pp. 125111
-
-
Waghmare, U.V.1
Spaldin, N.A.2
Kandpal, H.C.3
Seshadri, R.4
-
19
-
-
33144465802
-
Ab Initio Study of Deep Defect States in Narrow Band-Gap Semiconductors: Group III Impurities in PbTe
-
Ahmad, S.; Hoang, K.; Mahanti, S. D. Ab Initio Study of Deep Defect States in Narrow Band-Gap Semiconductors: Group III Impurities in PbTe Phys. Rev. Lett. 2006, 96, 056403
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 056403
-
-
Ahmad, S.1
Hoang, K.2
Mahanti, S.D.3
-
20
-
-
34347343976
-
Structural and Electronic Properties of Lead Chalcogenides from First Principles
-
Hummer, K.; Grüneis, A.; Kresse, G. Structural and Electronic Properties of Lead Chalcogenides from First Principles Phys. Rev. B 2007, 75, 195211
-
(2007)
Phys. Rev. B
, vol.75
, pp. 195211
-
-
Hummer, K.1
Grüneis, A.2
Kresse, G.3
-
21
-
-
0842265027
-
The Geometric and Electronic Properties of the PbS, PbSe and PbTe (0 0 1) Surfaces
-
Ma, J. X.; Jia, Y.; Song, Y. L.; Liang, E. J.; Wu, L. K.; Wang, F.; Wang, X.-C.; Hu, X. The Geometric and Electronic Properties of the PbS, PbSe and PbTe (0 0 1) Surfaces Surf. Sci. 2004, 551, 91-98
-
(2004)
Surf. Sci.
, vol.551
, pp. 91-98
-
-
Ma, J.X.1
Jia, Y.2
Song, Y.L.3
Liang, E.J.4
Wu, L.K.5
Wang, F.6
Wang, X.-C.7
Hu, X.8
-
22
-
-
34848876039
-
Theoretical Study of Deep-Defect States in Bulk PbTe and in Thin Films
-
Hoang, K.; Mahanti, S. D.; Jena, P. Theoretical Study of Deep-Defect States in Bulk PbTe and in Thin Films Phys. Rev. B 2007, 76, 115432
-
(2007)
Phys. Rev. B
, vol.76
, pp. 115432
-
-
Hoang, K.1
Mahanti, S.D.2
Jena, P.3
-
23
-
-
33845531462
-
Structural Properties of PbTe/CdTe Interfaces from First Principles
-
Leitsmann, R.; Ramos, L. E.; Bechstedt, F. Structural Properties of PbTe/CdTe Interfaces from First Principles Phys. Rev. B 2006, 74, 085309
-
(2006)
Phys. Rev. B
, vol.74
, pp. 085309
-
-
Leitsmann, R.1
Ramos, L.E.2
Bechstedt, F.3
-
24
-
-
33845535675
-
Rebonding at Coherent Interfaces between Rocksalt-PbTe/Zinc-Blende-CdTe
-
Leitsmann, R.; Ramos, L. E.; Bechstedt, F.; Groiss, H.; Schäffler, F.; Heiss, W.; Koike, K.; Harada, H.; Yano, M. Rebonding at Coherent Interfaces between Rocksalt-PbTe/Zinc-Blende-CdTe New J. Phys. 2006, 8, 317
-
(2006)
New J. Phys.
, vol.8
, pp. 317
-
-
Leitsmann, R.1
Ramos, L.E.2
Bechstedt, F.3
Groiss, H.4
Schäffler, F.5
Heiss, W.6
Koike, K.7
Harada, H.8
Yano, M.9
-
25
-
-
84871930490
-
Substitutional Adsorption Mechanism and Controllable Magnetic Properties of Mn on PbTe(1 1 1) Surface
-
Wu, H. F.; Wang, Y.; Lu, Y. H.; Feng, Y. P.; He, P. M. Substitutional Adsorption Mechanism and Controllable Magnetic Properties of Mn on PbTe(1 1 1) Surface Appl. Surf. Sci. 2013, 265, 120-123
-
(2013)
Appl. Surf. Sci.
, vol.265
, pp. 120-123
-
-
Wu, H.F.1
Wang, Y.2
Lu, Y.H.3
Feng, Y.P.4
He, P.M.5
-
26
-
-
84904785218
-
Large-Scale Synthesis and Growth Habit of 3-D Flower-Like Crystal of PbTe
-
Zhou, N.; Chen, G.; Yang, X.; Zhang, X. Large-Scale Synthesis and Growth Habit of 3-D Flower-Like Crystal of PbTe J. Phys. Chem. Solids 2013, 73, 280-287
-
(2013)
J. Phys. Chem. Solids
, vol.73
, pp. 280-287
-
-
Zhou, N.1
Chen, G.2
Yang, X.3
Zhang, X.4
-
27
-
-
84864212931
-
Ab Initio Modeling of α-GeTe(111) Surfaces
-
Deringer, V. L.; Lumeij, M.; Dronskowski, R. Ab Initio Modeling of α-GeTe(111) Surfaces J. Phys. Chem. C 2012, 116, 15801-15811
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 15801-15811
-
-
Deringer, V.L.1
Lumeij, M.2
Dronskowski, R.3
-
28
-
-
25744460922
-
Projector Augmented-Wave Method
-
Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blöchl, P.E.1
-
29
-
-
12844286241
-
Ab Initio Molecular-Dynamics for Liquid-Metals
-
Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics for Liquid-Metals Phys. Rev. B 1993, 47, 558-561
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558-561
-
-
Kresse, G.1
Hafner, J.2
-
30
-
-
2442537377
-
Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
31
-
-
0030190741
-
Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
32
-
-
0011236321
-
From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
-
Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
33
-
-
1842816907
-
Special Points for Brillouin-Zone Integrations
-
Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192. For completeness, the grids used in LDA and GGA computations for the conventional surface unit cells are as follows: 16 × 16 points for (001), 16 × 24 for (011), and 19 × 19 for the 1 × 1 unit cells of (111) surfaces. For hybrid-functional computations, the grid size was reduced to make computations tractable while still accurate, namely, to 12 × 12 for (001), 12 × 16 for (011), and 15 × 15 for (111) surfaces, respectively
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
34
-
-
26144450583
-
Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems
-
Perdew, J. P.; Zunger, A. Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems Phys. Rev. B 1981, 23, 5048-5079
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048-5079
-
-
Perdew, J.P.1
Zunger, A.2
-
35
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
36
-
-
0037799714
-
Hybrid Functionals Based on a Screened Coulomb Potential
-
Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential J. Chem. Phys. 2003, 118, 8207-8215
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207-8215
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
37
-
-
34547139312
-
Erratum: "hybrid Functionals Based on a Screened Coulomb Potential"
-
Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Erratum: "Hybrid Functionals Based on a Screened Coulomb Potential" J. Chem. Phys. 2006, 124, 219906
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 219906
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
38
-
-
36149027186
-
Finite Elastic Strain of Cubic Crystals
-
Bulk moduli were obtained by fitting computed E (V) data points to the Birch-Murnaghan equation of state
-
Bulk moduli were obtained by fitting computed E (V) data points to the Birch-Murnaghan equation of state: Birch, F. Finite Elastic Strain of Cubic Crystals Phys. Rev. 1947, 71, 801-824
-
(1947)
Phys. Rev.
, vol.71
, pp. 801-824
-
-
Birch, F.1
-
39
-
-
0000483148
-
Temperature Dependence of Atomic Thermal Parameters on Lead Chalcogenides, PbS, PbSe and PbTe
-
Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I. Temperature Dependence of Atomic Thermal Parameters on Lead Chalcogenides, PbS, PbSe and PbTe Acta Crystallogr., Sect. C 1987, 43, 1443-1445
-
(1987)
Acta Crystallogr., Sect. C
, vol.43
, pp. 1443-1445
-
-
Noda, Y.1
Masumoto, K.2
Ohba, S.3
Saito, Y.4
Toriumi, K.5
Iwata, Y.6
Shibuya, I.7
-
41
-
-
2742524433
-
Thermodynamic Properties of Solid Monoxides, Monosulfides, Monoselenides, and Monotellurides of Ge, Sn, and Pb
-
Hirayama, C. Thermodynamic Properties of Solid Monoxides, Monosulfides, Monoselenides, and Monotellurides of Ge, Sn, and Pb J. Chem. Eng. Data 1964, 9, 65-68
-
(1964)
J. Chem. Eng. Data
, vol.9
, pp. 65-68
-
-
Hirayama, C.1
-
42
-
-
1542621006
-
First-Principles Calculations for the Surface Termination of Pure and Yttria-Doped Zirconia Surfaces
-
The choice of symmetric or asymmetric slab models (the latter having different terminations at top and bottom) has been carefully discussed before: Eichler, A.; Kresse, G. First-Principles Calculations for the Surface Termination of Pure and Yttria-Doped Zirconia Surfaces Phys. Rev. B 2004, 69, 045402
-
(2004)
Phys. Rev. B
, vol.69
, pp. 045402
-
-
Eichler, A.1
Kresse, G.2
-
43
-
-
33645520568
-
Density Functional Study of the Polar MnO(111) Surface
-
Franchini, C.; Bayer, V.; Podloucky, R.; Parteder, G.; Surnev, S.; Netzer, F. P. Density Functional Study of the Polar MnO(111) Surface Phys. Rev. B 2006, 73, 155402
-
(2006)
Phys. Rev. B
, vol.73
, pp. 155402
-
-
Franchini, C.1
Bayer, V.2
Podloucky, R.3
Parteder, G.4
Surnev, S.5
Netzer, F.P.6
-
44
-
-
3743140425
-
Reconstruction of NaCl Surfaces from a Dipolar Solution to the Madelung Problem
-
Wolf, D. Reconstruction of NaCl Surfaces from a Dipolar Solution to the Madelung Problem Phys. Rev. Lett. 1992, 68, 3315-3318
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 3315-3318
-
-
Wolf, D.1
-
45
-
-
2342472524
-
Stability of Rocksalt (111) Polar Surfaces: Beyond the Octopole
-
Finocchi, F.; Barbier, A.; Jupille, J.; Noguera, C. Stability of Rocksalt (111) Polar Surfaces: Beyond the Octopole Phys. Rev. Lett. 2004, 92, 136101
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 136101
-
-
Finocchi, F.1
Barbier, A.2
Jupille, J.3
Noguera, C.4
-
46
-
-
0037080586
-
2(110) as a Function of Oxygen Pressure
-
2(110) as a Function of Oxygen Pressure Phys. Rev. B 2002, 65, 035406
-
(2002)
Phys. Rev. B
, vol.65
, pp. 035406
-
-
Reuter, K.1
Scheffler, M.2
-
47
-
-
2342456342
-
First-Principles Calculations for Defects and Impurities: Applications to III-Nitrides
-
Van de Walle, C. G.; Neugebauer, J. First-Principles Calculations for Defects and Impurities: Applications to III-Nitrides J. Appl. Phys. 2004, 95, 3851-3879
-
(2004)
J. Appl. Phys.
, vol.95
, pp. 3851-3879
-
-
Van De Walle, C.G.1
Neugebauer, J.2
-
48
-
-
0006179842
-
Determination of the Surface Atomic Geometry of PbTe(100) by Dynamical Low-Energy Electron-Diffraction Intensity Analysis
-
Lazarides, A. A.; Duke, C. B.; Paton, A.; Kahn, A. Determination of the Surface Atomic Geometry of PbTe(100) by Dynamical Low-Energy Electron-Diffraction Intensity Analysis Phys. Rev. B 1995, 52, 14895-14905
-
(1995)
Phys. Rev. B
, vol.52
, pp. 14895-14905
-
-
Lazarides, A.A.1
Duke, C.B.2
Paton, A.3
Kahn, A.4
-
49
-
-
0032472718
-
The (111) Surface of PbTe Observed by High-Resolution RBS
-
Nakajima, K.; Kimura, K.; Mannami, M. The (111) Surface of PbTe Observed by High-Resolution RBS Nucl. Instrum. Methods Phys. Res., Sect. B 1998, 135, 350-354
-
(1998)
Nucl. Instrum. Methods Phys. Res., Sect. B
, vol.135
, pp. 350-354
-
-
Nakajima, K.1
Kimura, K.2
Mannami, M.3
-
50
-
-
0012001629
-
Wulffman: A Tool for the Calculation and Display of Crystal Shapes
-
Roosen, A. R.; McCormack, R. P.; Carter, W. C. Wulffman: A Tool for the Calculation and Display of Crystal Shapes Comput. Mater. Sci. 1998, 11, 16-26
-
(1998)
Comput. Mater. Sci.
, vol.11
, pp. 16-26
-
-
Roosen, A.R.1
McCormack, R.P.2
Carter, W.C.3
-
51
-
-
77951259024
-
Interface Behavior of Mn/PbTe(111) Studied by Scanning Tunneling Microscopy and X-ray Photoemission Spectroscopy
-
Wu, H. F.; Zhang, H. J.; Liao, Q.; Si, J. X.; Li, H. Y.; Bao, S. N.; Wu, H. Z.; He, P. Interface Behavior of Mn/PbTe(111) Studied by Scanning Tunneling Microscopy and X-ray Photoemission Spectroscopy Surf. Sci. 2010, 604, 882-886
-
(2010)
Surf. Sci.
, vol.604
, pp. 882-886
-
-
Wu, H.F.1
Zhang, H.J.2
Liao, Q.3
Si, J.X.4
Li, H.Y.5
Bao, S.N.6
Wu, H.Z.7
He, P.8
-
52
-
-
77956062988
-
Accurate Surface and Adsorption Energies from Many-Body Perturbation Theory
-
In the future, with significantly larger computational resources available, it might be interesting to compare the numerical surface-energy values to those from more elaborate techniques beyond "traditional" DFT. One such technique has recently been shown to yield transition-metal surface energies in remarkable agreement with experiment: Schimka, L.; Harl, J.; Stroppa, A.; Grüneis, A.; Marsman, M.; Mittendorfer, F.; Kresse, G. Accurate Surface and Adsorption Energies from Many-Body Perturbation Theory Nat. Mater. 2010, 9, 741-744
-
(2010)
Nat. Mater.
, vol.9
, pp. 741-744
-
-
Schimka, L.1
Harl, J.2
Stroppa, A.3
Grüneis, A.4
Marsman, M.5
Mittendorfer, F.6
Kresse, G.7
-
53
-
-
0041847497
-
-
Verlag W. Engelmann: Leipzig, [in German].
-
Groth, P. Chemische Krystallographie. Erster Teil: Elemente, anorganische Verbindungen ohne Salzcharakter, einfache und complexe Halogenide, Cyanide und Azide der Metalle, nebst den zugehörigen Alkylverbindungen; Verlag W. Engelmann: Leipzig, 1906, [in German].
-
(1906)
Chemische Krystallographie. Erster Teil: Elemente, Anorganische Verbindungen Ohne Salzcharakter, Einfache und Complexe Halogenide, Cyanide und Azide der Metalle, Nebst Den Zugehörigen Alkylverbindungen
-
-
Groth, P.1
-
55
-
-
84859148334
-
Predicting Nanocrystal Shape Through Consideration of Surface-Ligand Interactions
-
Bealing, C. R.; Baumgardner, W. J.; Choi, J. J.; Hanrath, T.; Hennig, R. G. Predicting Nanocrystal Shape Through Consideration of Surface-Ligand Interactions ACS Nano 2012, 6, 2118-2127
-
(2012)
ACS Nano
, vol.6
, pp. 2118-2127
-
-
Bealing, C.R.1
Baumgardner, W.J.2
Choi, J.J.3
Hanrath, T.4
Hennig, R.G.5
-
56
-
-
84871944303
-
Small but Strong Lessons from Chemistry for Nanoscience
-
Hoffmann, R. Small but Strong Lessons from Chemistry for Nanoscience Angew. Chem., Int. Ed. 2013, 52, 93-103
-
(2013)
Angew. Chem., Int. Ed.
, vol.52
, pp. 93-103
-
-
Hoffmann, R.1
-
57
-
-
84887847410
-
Single Crystalline Nanostructures of Topological Crystalline Insulator SnTe with Distinct Facets and Morphologies
-
10.1021/nl4030193
-
Li, Z.; Shao, S.; Li, N.; McCall, K.; Wang, J.; Zhang, S. X. Single Crystalline Nanostructures of Topological Crystalline Insulator SnTe with Distinct Facets and Morphologies Nano Lett. 2013, 10.1021/nl4030193
-
(2013)
Nano Lett.
-
-
Li, Z.1
Shao, S.2
Li, N.3
McCall, K.4
Wang, J.5
Zhang, S.X.6
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