Abstract
Metal-semiconductor (Schottky barrier) and semiconductor-semiconductor (heterojunction) interfaces show rectifying barrier heights and band offsets, which are two key quantities required to optimize the performance of a device. A large number of models and empirical theories have been put forward by various workers in the field during the last 50 years. But a proper understanding of the microscopic origin of these quantities is still missing. In this article, our focus is mainly to present a unified framework for first principles investigation of the electronic structure of epitaxial interfaces, in which one of the constituents is a semiconductor. LMTO method is now a well established tool for self-consistent electronic structure calculations of solids within LDA. Such calculations, when performed on supercell geometries, are quite successful in predicting a wide range of interface specific electronic properties accurately and efficiently. We describe here the basic formalism of this LMTO-supercell approach in its various levels of sophistication and apply it to investigate the electronic structure of A- and B-type NiSi2/Si(111) interface as a prototype metal-semiconductor system, and CaF2/Si(111) interface as a prototype insulator-semiconductor system. These are a few of the most ideal lattice matched epitaxial interfaces whose atomic and electronic structures have been extensively studied using a wide range of experimental probes. We give here a glimpse of these experimental results and discuss the success as well as limitations of LDA calculations to achieve accuracies useful for the device physicists.
Similar content being viewed by others
References
Abram R A and Jaros M (eds) 1989In Bond structure engineering in semiconductor microstructures (New York: Plenum Press) NATO ASI Sr. B Vol. 189
Alouani M, Albers R C and Methfessel M 1991Phys. Rev. B143 6500
Alouani M, Brey L and Christensen N E 1988Phys. Rev. 37 1167
Andersen O K 1973Band structure of transition metals, in Mont Tremblant International Summer School (unpublished)
Andersen O K 1975Phys. Rev. B12 3060
Andersen O K 1984 inThe electronic structure of complex systems, (eds) W Temmerman and P Phariseau (New York: Plenum Press) p. 1
Andersen O K, Blöchl P and Jepsen O 1988Bull. Am. Phys. Soc. 33 804
Andersen O K and Jepsen O 1977Physica B91 317
Andersen O K and Jepsen O 1984Phys. Rev. Lett. 53 2571
Andersen O K, Jepsen O and Glötzel D 1985 inHighlights in condensed-matter theory, (eds) F Bassani F Fumi and M P Tosi (Amsterdam: North Holland) p. 59
Andersen O K, Jepsen O and Sob M 1987 inElectronic band structure and its applications, (ed.) M Yussouff (Berlin: Springer Verlag) Lecture Notes in Physics, Vol 281, p. 1. [Note: A revised version of this article is published as lecture notes for CECAM Workshop on Interatomic Forces, 1987]
Andersen O K, Klose W and Nohl H 1978Phys. Rev. B17 1209
Andersen O K, Methfessel M, Rodriguez C O, Blöchl P and Polatoglou H M 1989 inAtomistic modeling of materials beyond pair potentials, (eds) D J Srolovitz and V Vitek (New York: Plenum)
Andersen O K, Pawlowska Z and Jepsen O 1986Phys. Rev. B34 5253
Andersen O K, Skriver H L, Nohl H and Johansson B 1979Pure Appl. Chem. 52 93
Anderson D G 1964J. Assoc. Comput. Mach. 12 547
Anderson R L 1962Solid State Electron. 5 341
Andrews J M and Phillips J C 1974Phys. Rev. Lett. 35 56
Applebaum J and Hamann D R 1976Rev. Mod. Phys. 48 1976
Asano T and Ishiwara H 1983Appl. Phys. Lett. 44 517
Authier A 1989Colloq. Phys. C7 215; and references therein
Bachelet G B and Christensen N E 1985Phys. Rev. B31 879
Bachrach R Z, Bringans R D and Olmstead M A 1990 inCurrent trends in the physics of materials (eds) G F Chiarotti, F Fumi and M P Tosi (Amsterdam: North Holland) p. 481
Baldereschi A, Baroni S and Resta R 1988Phys. Rev. Lett. 61 734
Baraff G A, Appelbaum J A and Hamman D R 1977Phys. Rev. Lett. 38 237
Barakai M, Lereach Y, Gronbaum E and Deutscher G 1986Thin Solid Films 139 287
Bardeen J 1947Phys. Rev. 71 717
Batstone J L and Phillips J M 1988Phys. Rev. Lett. 61 2275
Batstone J L, Phillips J M and Hunke E H 1988Phys. Rev. Lett. 60 1394
Batterman B W 1964Phys. Rev. 133 A759
Bauer E G, Dodson B W, Ehrlich D J, Feldman L C, Flynn C P, Geis M W, Harbison J P, Matyi R J, Peercy P S, Petroff P M, Phillips J M, Stringfellow G B and Zangwill A 1990J. Mater. Res. 5 852
Bauer R S (ed.) 1983Surface and Interfaces: Physics and Electronics Vol 132
Bauer R S and Margaritondo G 1987Phys. Today (January)40 27
Bean J C 1986Phys. Today (October)39 36
Bean J C and Schowalter L J (eds) 1988Proceedings of the second international symposium on silicon molecular beam epitaxy (The Electrochemical Society) Vol. 88-8
Beeler F, Andersen O K, Gunnarsson O, Jepsen O and Scheffler M 1987Comput. Phys. Commun. 44 297
Beeler F, Andersen O K and Scheffler M 1985Phys. Rev. Lett. 55 1498
Behm R J, Garcia N and Rohrer H (eds) 1990Basic concepts and applications of STM and related techniques (Dordrecht, The Netherlands: Kluwer Academic)
Bennett P A, Johnson A P and Halawith B N 1988Phys. Rev. B37 4268
Bisi O and Ossicini S 1987Surf. Sci. 189/190 285; a modified calculation (with correct choice of interfacial empty spheres) was presented later by these authors in the MRS fall metting 1987
Biswas R and Hamann D R 1985Phys. Rev. Lett. 55 2001
Blöchl P 1989Total emergies forces and metal-semiconductor interfaces Ph.D. Dissertation, University of Stuttgart
Blöchl P, Das G P, Andersen O K, Christensen N E and Gunnarsson O 1991Phys. Rev. B (to be published)
Blöchl P, Das G P, Fischmeister H F and Schönberger U 1989 inMetal-ceramic interfaces (eds) M Rühle, A G Evans, M F Ashby and J P Hirth (Pergamon) p. 9
Bose S K, Jaswal S S, Andersen O K and Hafner J 1988aPhys. Rev. B37 9955
Bose S K, Winer K and Andersen O K 1988bPhys. Rev. 37 6262
Bradley C J and Cracknell A P 1972Mathematical theory of symmetry in solids (Oxford: Clarendon Press)
Braun F 1874Pogg. Ann. 153 556
Brillson L J 1978J. Vac. Sci. Technol. 15 1378
Brillson L J 1982Surf. Sci. Rep. 2 123
Brillson L J 1989Comm. Cond. Mat. Phys. 14 311
Brillson L J, Viturro R E, Mailhiot C, Shaw J L, Tache N, McKinley J, Margaritondo G, Woodall J M, Kirchner P D, Pettit G D and Wright S L 1988J. Vac. Sci. Technol. B6 1263
Broyden C G 1965Math. Comput. 19 577
Blügel S 1988 Ph.D. Dissertation, KFA Jülich, Germany
Bylander D M and Kleinman L 1987Phys. Rev. Lett. 59 2091
Calendra C, Bisi O and Ottaviani G 1984Surf. Sci. Rep. 4 271
Capasso F and Margaritondo G (eds) 1987Heterojunction band discontinuies: physics and device applications (Amsterdam: North Holland)
Cao R, Miyano K, Kendelewicz T, Lindau I and Spicer W E 1989Phys. Rev. B39 11146
Car R and Parrinello M 1985Phys. Rev. Lett. 55 2471
Car R and Parrinello M 1988Proceedings of NATO ARW: simple molecular systems at very high density Les Houches, France (New York: Plenum Press) NATO ASI Sr
Cardona M and Christensen N E 1987Phys. Rev. B35 6182
Ceperley D M and Alder B J 1980Phys. Rev. Lett. 45 566
Chabal Y J, Hamann D R, Rowe J E and Schlüter M 1982Phys. Rev. 25 7598
Chandersis D, Roubin P and Rossi G 1988 insynchrotron in chemistry and biology II (ed.) E Mandelkow (Berlin: Springer-verlag) Topics in Current Chemistry Vol147 p. 95
Chang K J and Cohen M L 1984Phys. Rev. B30 5376
Chang L and Giessen B C (eds) 1985Synthetic modulated structures (New York: Academic Press)
Chaplot S L 1986Curr. Sci. 55 949
Cherief N, Cinti R, de Crescenzi M, Derrien J, Nguyen Tan T A and and Veuillen J Y 1989Appl. Surf. Sci. 41/42 241
Cherns D, Anstis G R, Hutchinson J L and Spence J C H 1982Philor. Mag. A46 849
Chiang T T, Spindt C J, Spicer W E, Lindau I and Browing R 1988J. Vac. Sci. Technol. B6 1409
Christensen N E 1984Phys. Rev. B30 5753
Christensen N E 1987Phys. Scr. T19 298
Christensen N E 1988Phys. Rev. B37 4528
Christensen N E 1990Phys. Rev. B42 7148
Christensen N E, Gorczyca I, Christensen O B, Schmidt U and Cardona M 1990J. Cryst. Growth 101 318
Christensen N E, Satpathy S and Pawlowska Z 1987Phys. Rev. B36 1032
Cho A Y 1989J. Cryst. Growth 95 1
Ciraci S, Baratoff A and Batra I P 1991Phys. Rev. B43 7046
Ciraci S and Batra I P 1987Phys. Rev. Lett. 58 2114
Citrin P H 1986J. Phys. (Paris) 47 C-8 Pt. 1 437
Cohen M L 1980Adv. Electron. Electron Phys. 51 1; and references therein
Cohen M L and Heine V 1980 inSolid state physics (ed.) D Turnbull and F Seitz (New York: Academic Press) Vol 24 p. 37
Comin F, Rowe J E and Citrin P H 1983Phys. Rev. Lett. 51 2402
Das G P 1989Solid State Phys. (India)A32 26
Das G P, Blöchl P, Andersen O K and Christensen N E 1988 inProceedings of the 18th International Symposium on Electronic Structure of Solids (ed.) P Ziesche (Techn. Univ. Dresden, DDR) p. 147
Das G P, Blöchl P, Andersen O K and Christensen N E 1989a inMetallization and metal-semiconductor interfaces (ed.) I P Batra (New York: Plenum Press) NATO ASI Sr. B Vol. 195 p. 215
Das G P, Blöchl P, Andersen O K, Christensen N E and Gunnarsson O 1989bPhys. Rev. Lett. 63 1168
Das G P, Blöchl P, Andersen O K, Christensen N E and Gunnarsson O 1990Phys. Rev. Lett. 65 2084
Dederichs P H and Zeller R 1983Phys. Rev. B28 5462
de Wette F W (ed.) 1988Solvay conference on surface science (Berlin: Springer Verlag)
Dhez P and Weisbuch C (ed.) 1990Physics, fabrication and applications of multilayered structure, NATO ASI Sr. B 182
Denlinger J D, Olmstead M A, Rotenberg E, Patel J R and Fontes E 1991Phys. Rev. B43 7335
Derrien J, Chevrier J, Younsi A, Le Thanh V, Dussanley J P and Cherief N 1991Phys. Scr. T35 251
DiStefano T H and McGill T C (eds.) 1974Proceedings of the symposium on electronic and structural properties of interfaces (RCA Laboratories, Princeton, New Jersey, 1973)J. Vac. Sci. Technol. Vol 11 No. 6
Dow J D and Allen R 1982J. Vac. Sci. Technol. 20 659
Dronskowski R 1989 Diplomarbeit, Westfälischen Wilhelms-Universität, Germany
Duclos S J, Vohra Y K and Ruoff A L 1987Phys. Rev. Lett. 58 775
Egelhoff W F 1990Crit. Rev. Sol. State Mater. Sci. 16 213
Eisenberger P and Marra W C 1981Phys. Rev. Lett. 46 1081
Erwin S C and Pickett W E 1990 inAtomic scale calculations of structure in materials (eds) M Schlüter and M S Daw (MRS Proc. Pittsburgh)
Esaki L and Tsu R 1970IBM J. Res. Develop. 14 61
Fadley C S 1990 inSynchrotron radiation research: Advances in surface science, (ed.) R Z Bachrach (New York: Plenum)
Fahy S and Hamann D R 1990Phys. Rev. B41 7587
Feidenhans’l R 1989Surf. Sci. Rep. 10 105
Fernando G W, Cooper B R, Ramana M V, Krakauer H and Ma C Q 1986Phys. Rev. Lett. 56 2299
Fischer A E M J 1988 Ph. D. dissertation, FOM Institute
Fischer A E M J, Gustafsson T and van der Veen J F 1988Phys. Rev. B37 6305
Fischer A E M J, Vlieg E, van der Veen J F, Clausnitzer M and Materlik G 1987Phys. Rev. B36 4769
Flores F 1989 inBond structure engineering in semiconductor microstructures (eds) R A Abram and M Jaros (New York: Plenum Press)
Flores F 1991Phys. Rev. Lett. 67 281
Flores F, Duran J C and Muñoz A 1987Phys. Scr. T19 102
Flores F, Muñoz and Duran J C 1989Appl. Surf. Sci. 41/42 144
Flores F and Tejedor C 1979J. Phys. C12 731
Flores F and Tejedor C 1987J. Phys. C20 145
Franciosi A, Weaver J H and Peterson D T 1985Phys. Rev. B31 3606
Franciosi A, Weaver J H and Schmidt F A 1982Phys. Rev. B26 546
Freeouf J L 1983Surf. Sci. 132 233
Freeouf J L and Woodall J M 1981Appl. Phys. Lett. 39 727
Freeouf J L, Woodall J M, Brillson L J and Viturro R E 1990Appl. Phys. Lett. 56 69
Fujitani H and Asano S 1988J. Phys. Soc. Jpn. 57 2253
Fujitani H and Asano S 1989Phys. Rev. B40 8357
Fujitani H and Asano S 1990Phys. Rev. B42 1696
Fujiwara T 1984J. Non-cryst. Solids 61&62 1039
Fujiwara T 1989Phys. Rev. B40 942
Fujiwara T and Yokohawa T 1991Phys. Rev. Lett. 66 333
Gibson J M and Batstone J L 1989Surf. Sci. 208 317
Gibson J M and Phillips J M 1983Appl. Phys. Lett. 43 828
Gibson J M, Tung R T and Poate J M 1983 inDefects in Semiconductors II (eds) S Mahajan and J W Corpet,Mater Res. Soc. Symp. Proc. Vol 14 (New York: North Holland) p. 395
Glötzel D, Segall B and Andersen O K 1980Solid. State Commun. 36 403
Godby R W, Schlüter M and Sham L J 1986Phys. Rev. Lett. 56 2415
Godby R W, Schlüter M and Sham L J 1990Phys. Rev. Lett. 65 2083
Godby W and Thomas W J O 1956J. Chem. Phys. 24 439
Gould H and Tobochnik J 1988An Introduction to computer simulation methods (Addison-Wesley)Vol 1 Chap. 6
Gunnarsson O, Andersen O K, Blöchl P, Das G P and Christensen N E 1990Bull. Am. Phys. Soc. 35 666
Gunnarsson O, Gies P, Hanke W and Andersen O K 1989Phys. Rev. B40 12140
Gunnarsson O, Jepsen O and Andersen O K 1983Phys. Rev. B27 7144
Hamann D R 1979Phys. Rev. Lett. 42 662
Hamann D R 1988Phys. Rev. Lett. 60 313
Hamann D R 1989 inMetallization and metal-semiconductor interfaces (ed.) I P Batra (New York: Plenum) NATO ASI Sr. B Vol195 p. 195
Hanenstein R J, Schlesinger T E, McGill T C, Hunt B D and Schowalter L J 1985Appl. Phys. Lett. 47 853
Harrison W A 1977J. Vac. Sci. Technol. 14 1016
Harrison W A 1980 Electronic structure and properties of solids (Sanfrancisco: Freeman)
Harrison W A 1985J. Vac. Sci. Technol. B3 1231
Harrison W A and Klepeis J E 1988Phys. Rev. B37 864
Harrison W A and Tersoff J 1986J. Vac. Sci. Technol. B8 1068
Hecht M H, Bell L D and Kaiser W J 1989Appl. Surf. Sci. 41/42 17
Hedin L and Lundqvist B I 1971J. Phys. C4 2064
Heine V 1965Phys. Rev. 138 A1689
Heine T F, Himpsel F J, Palange E and Burstein E 1989Phys. Rev. Lett. 63 644
Himpsel F J 1983Adv. Phys. 32 1
Himpsel F J, Karlsson U O, McLean A B, Terminello L J, de Groot F M F, Abbate M, Fuggle J C, Yarmoff J A, Thole B T and Sawatzky G A 1991Phys. Rev. B43 6899
Himpsel F J, Karlsson U O, Morar J F, Rieger D and Yarmoff J A 1986Phys. Rev. Lett. 56 1497
Hiraki A, Kawazu A and Ohdomari (eds) 1989Proc. 2nd Int. Conf. on the formation of semiconductor interfaces, Takarazuka, Japan, (Appl. Surf. Sci. 41/42)
Ho K M, Ihm J and Joannopoulos J D 1982Phys. Rev. B25 4260
Hohenberg P C and Kohn W 1964Phys. Rev. 136 B864
Horn K 1990Appl. Phys. A51 289
Hybertsen M S and Louie S G 1987Comm. Condensed Mater. Phys. 13 223
Hybertsen M S and Schlüter M 1987Phys. Rev. B36 9683
Harlborg T and Freeman A J 1979Phys. Lett. A74 349
Jepsen O and Andersen O K 1971Solid State Commun. 91 1763
Jepsen O and Andersen O K 1984Phys. Rev. B29 5965
Jepsen O, Glötzel D and Mackintosh A R 1981Phys. Rev. B23 2684
Jepsen O, Madsen J and Andersen O K 1982Phys. Rev. B26 2790
Jin B Y and Ketterson J B 1989Adv. Phys. 38 189
Jona F, Strozier J A and Wang W S 1982Rep. Prog. Phys. 45 527
Jones R O and Gunnarsson O 1989Rev. Mod. Phys. 61 689; and references therein
Joyce B A 1991Contemp. Phys. 32 21
Karlsson K, Nyqvist O and Kanski J 1991Phys. Rev. Lett. 67 236
Keller J 1971J. Phys. C4 L85
Kelley M J and Nicholas R J 1985Rep. Prog. Phys. 48 1699
Koelling D D and Arbman G O 1975J. Phys. F5 2041
Koenig C and Daniel E 1981J. Phys. (Paris) Lett. 42 L193
Kohn W and Sham L J 1965Phys. Rev. 140 A1133
Kono S, Higashiyama K and Sagawa T 1986Surf. Sci. 165 21
Kroemer H 1983Surf. Sci. 132 543
Kryachko D D and Ludena E V 1990Energy density functional theory of many electron systems (Kluwer Academic Publishers, Dodrecht, The Netherlands); this book gives an extensive bibliography on DFT
Kudronvsky J and Drachal V 1990Phys. Rev. B41 7515
Kudrnovsky J, Drachal V and Masek J 1987Phys. Rev. B35 2487
Kunc K and Martin R M 1981Phys. Rev. B24 3445
Kurtin S, McGill T C and Mead C A 1969Phys. Rev. Lett. 22 1433
Lambrecht W R L 1991 inProc. of IRSEE conf. (to be published)
Lambrecht W R L and Andersen O K 1986aSurf. Sci. 178 256
Lambrecht W R L and Andersen O K 1986bPhys. Rev. B34 2439
Lambrecht W R L, Christensen N E and Blöchl P 1987Phys. Rev. B36 2493
Lambrecht W R L and Segall B 1988Phys. Rev. Lett. 61 1764
Lambrecht W R L and Segall B 1989 inInterfaces in metal-ceramic composites (eds) R Y Lin, R J Arsenault, G P Martins and S G Fishman (The Minerals, Metals & Materials Society)
Lambrecht W R L and Segall B 1990Phys. Rev. B41 2948
Lambrecht W R L, Segall B and Andersen O K 1990Phys. Rev. B41 2813
Lee Wm, Bylander D M and Kleinman L 1985Phys. Rev. B32 6899
Lefebvre I, Lannoo M, Priester C, Allan G and Delerue C 1987Phys. Rev. B36 1336
LeGoues F K, Liehr M, Renier M and Krakow W 1988Philos. Mag. B57 179
Leuken H V, Lodder A, Czyzyk M T, Springelkamp F and deGroot R A 1990Phys. Rev. B41 5613
Li C and Freeman A J 1991Phys. Rev. B43 780
Liehr M, Schmid P E, LeGoues F K and Ho P S 1985Phys. Rev. Lett. 54 2139
Lindau I and Kendelewicz T 1986CRC Crit. Rev. Solid State Mater. Sci. 13 27
Lindau I and Spicer W E 1980 inSynchrotron radiation research (eds) H Winick and S Doniach (New York: Plenum Press) Chap. 6
Louie S G, Chelikowsky J R and Cohen M L 1977Phys. Rev. B15 2154
Louie S G and Cohen M L 1976Phys. Rev. B13 2461
Ludeke R, Jezequel G and Taleb-Ibrahimi A 1988Phys. Rev. Lett. 61 601
Lundqvist S and March N H (eds) 1983Theory of inhomogeneous electron gas (New York: Plenum Press)
Macdonald J E 1990 inStructure of surfaces and interfaces as studied using synchrotron radiation, Faraday Discussions of the Chemical Society,89 191
Mackintosh A R and Andersen O K 1980 inElectrons at Fermi surface (ed.) M Springford (New York: Cambridge Univ. Press) p. 149
Mailhiot C and Smith D L 1990Crit. Rev. Solid State Mater. Sci. 16 131
Margaritoudo G 1990 inPhotoemission and absorption spectroscopy of solids and interfaces with synchrontron radiation, (eds) M Campagna and R Rosei Enrico Fermi Proceedings (Amsterdam: North Holland) Vol. 108 p. 327
Margoninski Y 1986Contemp. Phys. 27 203
Massida S, Min B I and Freeman A J 1987Phys. Rev. B35 9871
Materlik G 1986Z. Phys. B61 405
Mattheiss L F 1964Phys. Rev. 133 A1399
Mattheiss L F 1991Phys. Rev. B43 1863
Mattheiss L F and Hamann D R 1986Phys. Rev. B33 823
McCaldin J O, McGill T C and Mead C A 1976Phys. Rev. Lett. 36 56
McGilp J F 1990J. Phys.: Condens. Matter. 2 7985
McLean A B and Himpsel F J 1989Phys. Rev. B39 1457
McMahan A K 1984Phys. Rev. B30 5835
McMahan A K and Moriarty J 1983Phys. Rev. B27 3235
McMahan A K, Yin M T and Cohen M L 1981Phys. Rev. B24 7210
Methfessel M 1988Phys. Rev. B38 1537
Methfessel M and Paxton A T 1989Phys. Rev. B40 3616
Methfessel M, Rodriguez C O and Andersen O K 1989Phys. Rev. B40 2009
Miller L M and Coleman J J 1988CRC Crit. Solid State Mater. Sci. 15 1
Milnes A G and Feucht D L 1972Heterojunctions and metal-semiconductor junctions (New York: Academic Press)
Mönch W 1983Surf. Sci. 132 92
Mönch W 1986Festkörperprobleme (Adv. Solid State Phys.) (ed.) P Grosse (Germany: Vieweg, Braunschweig)Vol 26 p. 67
Mönch W 1988Phys. Rev. Lett. 58 1260
Mönch W 1990Rep. Prog. Phys. 53 221; and references therein
Morar J F and Wittmer M 1988Phys. Rev. B37 2618
Moriarty J and McMahan A K 1982Phys. Rev. Lett. 48 809
Mott N F 1939Proc. R. Soc. (London) A171 27
Müller E W 1965Science 149 591
Murarka S P 1983Silicides for VLSI applications (New York: Academic Press)
Nakayama T and Kamimura H 1986J. Phys. Soc. Jpn. 54 4726
Newman N, Spicer W E, Kendelewicz T and Lindau I 1986J. Vac. Sci. Technol. B4 931
Nielsen O H and Martin R M 1985Phys. Rev. B32 3780
Olijnyk H, Sikka S K and Holzapfel W B 1984Phys. Lett. A103 137
Olmstead M A, Uhrberg R I G, Bringans R D and Bachrach R Z 1987Phys. Rev. B35 7526
Parker E H C (ed.) 1985The technology and physics of molecular beam Epitaxy (New York: Plenum)
Paxton A T, Methfessel M and Polatoglou H M 1990Phys. Rev. 41 8127
Pearsall T P 1991 inSemiconductor and semimetals (ed.) T P Pearsall (New York: Academic Press) Vol. 32 p. 1
Pendry J B 1974Low energy electron diffraction (London: Academic)
Perdew J and Zunger A 1981Phys. Rev. B23 5048, see appendix C
Pettifor D G 1976Commun. Phys. 1 141
Phillips J C 1974J. Vac. Sci. Technol. 11 947
Pickett W E 1989Comput. Phys. Rep. 9 117; and references therein
Pickett W E and Erwin S C 1990Phys. Rev. B41 9756
Ploog K 1990 inStructure of surfaces and interfaces as studied using synchrotron radiation, Faraday Discussion of Chemical Society89 33
Ploog K and Dohler G H 1983Adv. Phys. 32 285
Pollman J 1980Festkörperprobleme (Adv. Solid State Phys.) (ed.) J Treusch (Germany: Vieweg, Braunschweig)Vol. 20 p. 117
Pollman J and Mazur A 1983Thin Solid Films 104 257
Pollman J and Pantellides S T 1978Phys. Rev. B18 5524
Ponce F A, Anderson G B, O’Keefe M A and Schowalter L J 1986J. Vac. Sci. Technol. B4 1121
Price D L and Cooper B R 1989Phys. Rev. B39 4945
Priester C, Allan G and Lannoo M 1986Phys. Rev. B33 7386
Prutton M 1983Surface Science (Oxford: University Press)
Rees N V and Matthai C C 1989Semicond. Sci. Technol. 4 412
Rhoderick E H and Williams R H 1988Metal semiconductor contacts, 2nd edn (Oxford: Clarendon)
Rieger D, Himpsel F J, Karlsson U O, FcFeely F R, Morar J F and Yarmoff J A 1986Phys. Rev. B34 7295
Robertson J 1985J. Phys. C18 947
Robinson I K, Tung R T and Feidenhans’l R 1988Phys. Rev. B38 3632
Rodriguez C O, Lichtenstein A I, Mazin I I, Jepsen O, Andersen O K and Methfessel M 1990Phys. Rev. B42 2692
Rossi G 1987Surf. Sci. Rept. 7 1
Rossi G, Jin X, Santaniello A, DePadova P and Chandesris D 1989Phys. Rev. Lett. 62 191
Royer L 1928Bull. Soc. Fr. Mineral. Cristallogr. 51 7
Rubloff G W 1983aSurf. Sci. 132 268
Rubloff G W 1983b inFestkörperprobleme (Adv. Solid State Phys.) (ed.) P Grosse (Germany: Vieweg, Braunschweig)Vol. 23 p. 179
Rubloff G W 1985 inDynamical phenomena at surfaces, interfaces and superlatticeses (eds) F Nizzoli, K -H Reider and R F Willis (Berlin: Springer Verlag)
Salehpour R, Satpathy S and Das G P 1991Phys. Rev. B44 8880
Sankey O F, Allen R E, Ren S and Dow J D 1985J. Vac. Sci. Technol. B3 1162
Sarid D 1991Scanning force microscopy (New York: Oxford Univ.)
Saris F W 1982Nucl. Instrum. Methods 194 625
Satpathy S and Martin R M 1989Phys. Rev. B39 8494
Schlüter M 1978Festkörperprobleme (Adv. Solid State Phys.) (ed.) J Treusch (Germany: Vieweg, Braunschweig) Vol. 28 p. 155
Schlüter M 1982Thin Solid Films 93 3
Schönberger U and Andersen O K 1991 inProc. of IRSEE Conf. (to be published)
Schottky W 1939Z. Phys. 113 367
Schowalter L J and Fathauer R W 1986J. Vac. Sci. Technol. A4 1026
Schowalter L J and Fathauer R W 1989CRC Crit. Rev. Solid State Mater. Sci. 15 367
Schowalter L J and Fathauer R W, Goehner R P, Turner L G, DeBlois R W, Hashimoto S, Peng J-L, Gibson W M and Krusius J P 1985J. Appl. Phys. 58 302
Schulz M 1983Surf. Sci. 132 422
Sham L J and Kohn W 1966Phys. Rev. 145 561
Shockley W 1939Phys. Rev. 56 317
Shockley W 1951 US Patent 2,569. 347, issued 25 Sept.
Skriver H L 1984The LMTO Method (Heidelberg: Springer), and references therein
Slater J C 1974The self-consistent field for molecules and solids in Quantum Theory of Molecules and Solids Vol IV (New York: McGrawhill)
Smith D L and Mailhiot C 1990Rev. Mod. Phys. 62 173
Smith N V and Himpsel F J 1983 inHandbook of synchrotron radiation (ed.) E E Koch (New York: North Holland) ch. 9
Sob M, Jepsen O and Andersen O K 1986 inProc. 6th Int. Conf. on liquid and amorphous metals Garmish-Partenkirchen, Germany (special issue ofZ. Phys. Chem.)
Speier W, Leuken E V, Fuggle J C, Sarma D D, Kumar L, Dauth B and Buschow K H J 1989Phys. Rev. B39 6008
Spence J C H 1980Experimental high resolution electron microscopy (Oxford: Clarendon Press)
Spicer W E, Chye P W, Sketh P R, Su C Y and Lindau I 1979J. Vac. Sci. Technol. 16 1427
Spicer W E, Liliental-Weber Z, Weber E, Newman N, Kendelewicz T, Cao R, McCants C, Mahowald P, Miyano K and Lindau I 1988J. Vac. Sci. Technol. B6 1245
Srivastava G P 1984J. Phys. A17 L317
Stiles M D and Hamann D R 1988Phys. Rev. B38 2021
Stiles M D and Hamann D R 1991Phys. Rev. Lett. 66 3179
Svanne A and Gunnarsson O 1990Phys. Rev. Lett. 65 1148
Taglauer E and Heiland W 1976Appl. Phys. 9 261
Takayanagi K, Tanishiro Y, Takahashi M and Takahashi S 1985J. Vac. Sci. Technol. A3 1502
Tamm I 1932Physik. Zeits. Sowjetunion 1 733
Tejedor C, Flores F and Louis L 1977J. Phys. C10 2163
Tejedor C and Flores F 1978J. Phys. C11 L19
Tersoff J 1984aPhys. Rev. Lett. 52 465
Tersoff J 1984bPhys. Rev. B30 4874
Tersoff J 1985Phys. Rev. B32 6968
Tersoff J 1986Phys. Rev. Lett. 56 2755
Tersoff J 1989 inMetallization and metal-semiconductor interfaces, (ed.) I P Batra, (New York: Plenum) NATO ASI Sr. B 195 p. 281
Tersoff J and Hamann D R 1983Phys. Rev. B28 1168
Tromp R M, LeGoues F K, Krakow W and Schowalter L J 1988Phys. Rev. Lett. 61 2274
Tromp R M and Reuter M C 1988Phys. Rev. Lett. 61 1756
Tung R T 1984aPhys. Rev. Lett. 52 462
Tung R T 1984bJ. Vac. Sci. Technol. B2 465
Tung R T 1988 inSilicon molecular beam epitaxy (eds) E Kasper and J C Bean (Florida: CRC Press) Vol II p. 13; and references therein
Tung R T, Gibson J M, Bean J C, Poate J M and Jacobson D C 1982Appl. Phys. Lett. 40 684
Tung R T, Gibson J M and Poate J M 1983Phys. Rev. Lett. 50 429
Tung R T, Ng K K, Gibson J M and Levi A F J 1986Phys. Rev. B33 7077
van de Walle C and Martin R 1986Phys. Rev. B24 5621
van de Walle C and Martin R 1987Phys. Rev. B35 8154
van den Hoek P J, Ravenek W and Baerends E J 1988aPhys. Rev. Lett. 60 1743
van den Hoek P J, Ravenek W and Baerends E J 1988bSurf. Sci. 205 549
van der Veen J F 1985Surf. Sci. Rep. 5 199
van der Veen J F and van Hove M A (ed.) 1986The structure of surfaces II (Berlin: Springer Verlag)
van Hove M A and Tong S Y (ed.) 1979Surface crystallography by LEED (Berlin: Springer Veglag)
van Hove M A and Tong S Y (ed.) 1985The structure of surfaces (Berlin: Springer Verlag)
van Hove M A, Wang S-W, Ogletree D F and Somorjai G A 1989Advances in quantum chemistry 20 1
van Loenen E J, Frenken J W M, and van der Veen J F and Valeri S 1985Phys. Rev. Lett. 54 827
van Schilfgaarde M and Newman N 1990Phys. Rev. Lett. 65 2728
van Schilfgaarde M and Newman N 1991Phys. Rev. Lett. 67 282
Vanselow R and Howe R (eds.) 1984Chemistry and physics of solid surfaces V (New York: Springer Verlag) p. 257
Vlieg E, Fischer A E M J, van der Veen J F, Dev B N and Materlik G 1986Surf. Sci. 178 36
von Barth U and Hedin L 1972J. Phys. C5 1629
von Känel H, Henz J, Ospelt M and Wachter P 1987Phys. Scr. T19 158
Vosko S H, Wilk L and Nusair M 1980Can. J. Phys. 58 1200
Voos M 1987Surf. Sci. Rept. 7 189
Walukiewicz W 1987J. Vac. Sci. Technol. B5 1062
Walukiewicz W 1988Phys. Rev. B37 4760
Weaver J H 1986Phys. Today (January)39 24
Wei S -H and Krakauer H 1985Phys. Rev. Lett. 55 1200
Wei S -H and Zunger A 1987Phys. Rev. Lett. 59 144
Weijs P J W, Wiech G, Zahorowski W, Speier W, Goedkoop J B, Czyzyk M, van Acker J F, van Leuken E, de Groot R A, van der Laan G, Sarma D D, Kumar L, Buschow K H J and Fuggle J C 1990Phys. Scr. 41 629
Werner J H 1989Appl. Phys. Lett. 54 1528
Werner J H, von Känel H, Markewitz G and Tung R T 1989Appl. Surf. Sci. 41/42 159
Weyrich K H 1988Phys. Rev. B37 10269
Wigner E P 1934Phys. Rev. 46 1002
Williams A R, Kobler J and Gelatt C D 1979Phys. Rev. B19 6094
Williams R H 1982Contemp. Phys. 23 329
Williams R H 1989Phys. Scr. T29 209
Williams R H 1991 inPhysics, fabrication and applications of multilayered structure (eds) P Dhez and C Weisbuch, NATO ASI Sr. BVol 182 p. 171
Wimmer E, Krakauer H, Weinert M and Freeman A J 1981Phys. Rev. B24 864
Woodruff D P and Delchar T A 1986Modern techniques of surface science, (Cambridge: University Press)
Yang W S, Jona F and Marcus P M 1983Phys. Rev. 28 7377
Yeh J J 1989Appl. Phys. Lett. 55 1241
Yin M T and Cohen M L 1982Phys. Rev. B26 5668
Yu R, Singh D and Krakauer H 1991Phys. Rev. B43 6411
Zaanen J, Jepsen O, Gunnarsson O, Paxton A T and Andersen O K 1988Physica C153–155 1636
Zabel H and Robinson I K (eds) 1991Surface X-ray and neutron scattering (Berlin: Springer Verlag), and articles therein
Zegenhagen J, Huang K -G, Gibson W M, Hunt B D and Schowalter L J 1989Phys. Rev. B39 10254
Zegenhagen J, Huang K -G, Hunt B D and Schowalter L J 1987Appl. Phys. Lett. 51 1176
Zegenhagen J and Patel J R 1990Phys. Rev. B90 5315
Zhang S B, Tomanek D, Louie S G, Cohen M L and Hybertsen M S 1988Solid State Commun. 66 585
Zhang S B, Hybertsen M S, Cohen M L, Louie S G and Tomanek D 1989Phys. Rev. Lett. 63 1495
Zur A, McGill T C and Nicolet M A 1985J. Appl. Phys. 57 600
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Das, G.P. Electronic structure of epitaxial interfaces. Pramana - J Phys 38, 545–639 (1992). https://doi.org/10.1007/BF02875060
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF02875060