nach oben

Erschienen in:

2018 | OriginalPaper | Buchkapitel

8. Ab-Initio Calculations of TMO Band Structure

verfasst von : A. Filippetti

Erschienen in: Spectroscopy of Complex Oxide Interfaces

Verlag: Springer International Publishing

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config

KI-gestützte Suche

Aus

Abstract

We review the fundamental aspects related to ab-initio band structure calculations for the \(\text {SrTiO}_3/\text {LaAlO}_3\) interface, analyzing capabilities and limits of the most advanced approaches, using available experiments as a reference. In particular, we discuss accuracy and failures for what concern the description of electronic, transport, and thermoelectric properties of oxide heterostructures. Despite evident shortcomings, our overview assesses the usefulness and the satisfying quality of ab-initio methods as an efficient approach for oxide heterostructure design and analysis.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Vorheriges Kapitel Standing-Wave and Resonant Soft- and Hard-X-ray Photoelectron Spectroscopy of Oxide Interfaces

Nächstes Kapitel Dynamical Mean Field Theory for Oxide Heterostructures

M. Huijben, G. Rijnders, D.H. Blank, S. Bals, S. Van Aert, J. Verbeeck, G. Van Tendeloo, A. Brinkman, H. Hilgenkamp, Electronically coupled complementary interfaces between perovskite band insulators. Nat. Mater. 5, 556–560 (2006), http://www.nature.com/doifinder/10.1038/nmat1675

N. Nakagawa, H.Y. Hwang, D.A. Muller, Why some interfaces cannot be sharp. Nat. Mater. 5, 204–209 (2006), http://www.nature.com/doifinder/10.1038/nmat1569

A. Ohtomo, H.Y. Hwang, A high-mobility electron gas at the LaAlO\(_3\)/SrTiO\(_3\) heterointerface. Nature 427, 423–427 (2004), http://www.nature.com/doifinder/10.1038/nature04773

V.I. Anisimov, J. Zaanen, O.K. Andersen, Band theory and Mott insulators: Hubbard U instead of Stoner I. Phys. Rev. B 44, 943 (1991), https://doi.org/10.1103/PhysRevB.44.943

A. Filippetti, V. Fiorentini, A practical first-principles band-theory approach to the study of correlated materials. Eur. Phys. J. B 71, 139–183 (2009), http://www.springerlink.com/index/10.1140/epjb/e2009-00313-2

A. Filippetti, C.D. Pemmaraju, S. Sanvito, P. Delugas, D. Puggioni, V. Fiorentini, Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules. Phys. Rev. B 84, 195127 (2011), http://link.aps.org/doi/10.1103/PhysRevB.84.195127

D.I. Bilc, R. Orlando, R. Shaltaf, G.M. Rignanese, J. Íñiguez, Ph. Ghosez, Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides. Phys. Rev. B 77, 165107 (2008), http://link.aps.org/doi/10.1103/PhysRevB.77.165107

J. Heyd, G.E. Scuseria, M. Ernzerhof, Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118, 8207–8215 (2003), http://scitation.aip.org/content/aip/journal/jcp/118/18/10.1063/1.1564060

J.-M. Albina, M. Mrovec, M.B. Meyer, C. Elssser, Structure, stability, and electronic properties of SrTiO\(_3\)/LaAlO\(_3\) and SrTiO\(_3\)/SrRuO\(_3\) interfaces. Phys. Rev. B 76, 165103 (2007), http://link.aps.org/doi/10.1103/PhysRevB.76.165103

10.

N.C. Bristowe, E. Artacho, P.B. Littlewood, Oxide superlattices with alternating p and n interfaces. Phys. Rev. B 80, 045425 (2009), http://link.aps.org/doi/10.1103/PhysRevB.80.045425

11.

M.S. Park, S.H. Rhim, A.J. Freeman, Charge compensation and mixed valency in LaAlO\(_3\)/SrTiO\(_3\) heterointerfaces studied by the FLAPW method. Phys. Rev. B 74, 205416 (2006), http://link.aps.org/doi/10.1103/PhysRevB.74.205416

12.

W.-J. Son, E. Cho, B. Lee, J. Lee, S. Han, Density and spatial distribution of charge carriers in the intrinsic n-type LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. B 79, 245411 (2009), http://link.aps.org/doi/10.1103/PhysRevB.79.245411

13.

E. Lesne, N. Reyren, D. Doennig, R. Mattana, H. Jaffrs, V. Cros, F. Petroff, F. Choueikani, P. Ohresser, R. Pentcheva, A. Barthlmy, M. Bibes, Suppression of the critical thickness threshold for conductivity at the LaAlO\(_3\)/SrTiO\(_3\) interface. Nat. Commun. 5, 4291 (2014), http://www.nature.com/doifinder/10.1038/ncomms5291

14.

R. Pentcheva, W.E. Pickett, Avoiding the polarization catastrophe in LaAlO\(_3\) Overlayers on SrTiO\(_3\) (001) through polar distortion. Phys. Rev. Lett. 102, 107602 (2009), http://link.aps.org/doi/10.1103/PhysRevLett.102.107602

15.

Z.S. Popovic, S. Satpathy, R.M. Martin, Origin of the two-dimensional electron gas carrier density at the LaAlO\(_3\) on SrTiO\(_3\) interface. Phys. Rev. Lett. 101, 256801 (2008), http://link.aps.org/doi/10.1103/PhysRevLett.101.256801

16.

U. Schwingenschlgl, C. Schuster, Interface relaxation and electrostatic charge depletion in the oxide heterostructure LaAlO\(_3\)/SrTiO\(_3\). Europhysics Lett. 6, 27005 (2009), http://stacks.iop.org/0295-5075/86/i=2/a=27005?key=crossref.2c314eb51de14f37348a226e7c16b631

17.

K. Janicka, J.P. Velev, E.Y. Tsymbal, Quantum nature of two-dimensional electron gas confinement at LaAlO\(_3\)/SrTiO\(_3\) interfaces. Phys. Rev. Lett. 102, 106803 (2009), http://link.aps.org/doi/10.1103/PhysRevLett.102.106803

18.

J. Lee, A. Demkov, Charge origin and localization at the n-type SrTiO\(_3\)/LaAlO\(_3\) interface. Phys. Rev. B 78, 193104 (2008), http://link.aps.org/doi/10.1103/PhysRevB.78.193104

19.

N. Pavlenko, T. Kopp, Structural relaxation and metal-insulator transition at the interface between SrTiO\(_3\) and LaAlO\(_3\). Surf. Sci. 605, 11141121 (2011), http://linkinghub.elsevier.com/retrieve/pii/S003960281100118X

20.

R. Pentcheva, W.E. Pickett, Charge localization or itineracy at LaAlO\(_3\)/SrTiO\(_3\) interfaces: hole polarons, oxygen vacancies, and mobile electrons. Phys. Rev. B 74, 035112 (2006), http://link.aps.org/doi/10.1103/PhysRevB.74.035112

21.

Z. Zhong, P.J. Kelly, Electronic-structure induced reconstruction and magnetic ordering at the LaAlO\(_3\)|SrTiO\(_3\) interface. Europhys. Lett. 84, 27001 (2008), http://stacks.iop.org/0295-5075/84/i=2/a=27001?key=crossref.aa208f51927f0f59a7826061a6531da2

22.

R. Pentcheva, W.E. Pickett, Ionic relaxation contribution to the electronic reconstruction at the n-type LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. B 78, 205106 (2008), http://link.aps.org/doi/10.1103/PhysRevB.78.205106

23.

M. Stengel, First-principles modeling of electrostatically doped perovskite systems. Phys. Rev. Lett. 106, 136803 (2011), http://link.aps.org/doi/10.1103/PhysRevLett.106.136803

24.

P. Delugas, A. Filippetti, V. Fiorentini, D.I. Bilc, D. Fontaine, Ph. Ghosez, Spontaneous 2-dimensional carrier confinement at the n-type SrTiO\(_3\)/LaAlO\(_3\) interface. Phys. Rev. Lett. 106, 166807 (2011), http://link.aps.org/doi/10.1103/PhysRevLett.106.166807

25.

C. Cancellieri, D. Fontaine, S. Gariglio, N. Reyren, A.D. Caviglia, A. Fête, S.J. Leake, S.A. Pauli, P.R. Willmott, M. Stengel, Ph. Ghosez, J.-M. Triscone, Electrostriction at the LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. Lett. 107, 056102 (2011), http://link.aps.org/doi/10.1103/PhysRevLett.107.056102

26.

M.L. Reinle-Schmitt, C. Cancellieri, D. Li, D. Fontaine, M. Medarde, E. Pomjakushina, C.W. Schneider, S. Gariglio, Ph. Ghosez, J.-M. Triscone, P.R. Willmott, Tunable conductivity threshold at polar oxide interfaces. Nat. Commun. 3, 932 (2012), http://www.nature.com/doifinder/10.1038/ncomms1936

27.

F. Cossu, U. Schwingenschlogl, V. Eyert, Metal-insulator transition at the LaAlO\(_3\)/SrTiO\(_3\) interface revisited: a hybrid functional study. Phys. Rev. B 88, 045119 (2013), http://link.aps.org/doi/10.1103/PhysRevB.88.045119

28.

L. Yu, A. Zunger, A polarity-induced defect mechanism for conductivity and magnetism at polar nonpolar oxide interfaces. Nat. Commun. 5, 5118 (2014), http://www.nature.com/doifinder/10.1038/ncomms6118

29.

W.-C. Lee, A.H. MacDonald, Electronic interface reconstruction at polar-nonpolar Mott-insulator heterojunctions. Phys. Rev. B 76, 075339 (2007), http://link.aps.org/doi/10.1103/PhysRevB.76.075339

30.

K. Yada, S. Onari, Y. Tanaka, J.-I. Inoue, Electrically controlled super-conducting states at the heterointerface SrTiO\(_3\)/LaAlO\(_3\). Phys. Rev. B 80, 140509 (2009), http://link.aps.org/doi/10.1103/PhysRevB.80.140509

31.

N.C. Bristowe, Ph. Ghosez, P.B. Littlewood, E. Artacho, The origin of two-dimensional electron gases at oxide interfaces: insights from theory. J. Phys. Condens. Matter 26, 143201 (2014), http://stacks.iop.org/0953-8984/26/i=14/a=143201?key=crossref.f7d9ccb17419daab8029060acecb0b0e

32.

M. Stengel, D. Vanderbilt, Berry-phase theory of polar discontinuities at oxide-oxide interfaces. Phys. Rev. B 80, 241103 (2009), http://link.aps.org/doi/10.1103/PhysRevB.80.241103

33.

R.D. King-Smith, D. Vanderbilt, Theory of polarization of crystalline solids. Phys. Rev. B 47, 1651–1654 (1993), http://link.aps.org/doi/10.1103/PhysRevB.47.1651

34.

S.A. Pauli, S.J. Leake, B. Delley, M. Bjorck, C.W. Schneider, C.M. Schleputz, D. Martoccia, S. Paetel, J. Mannhart, P.R. Willmott, Evolution of the interfacial structure of LaAlO\(_3\) on SrTiO\(_3\). Phys. Rev. Lett. 106, 036101 (2011), http://link.aps.org/doi/10.1103/PhysRevLett.106.036101

35.

C. Cancellieri, A.S. Mishchenko, U. Aschauer, A. Filippetti, C. Faber, O.S. Barii, V.A. Rogalev, T. Schmitt, N. Nagaosa, V.N. Strocov, Polaronic metal state at the LaAlO\(_3\)/SrTiO\(_3\) interface. Nat. Commun. 7, 10386 (2016), http://www.nature.com/doifinder/10.1038/ncomms10386

36.

I. Pallecchi, F. Telesio, D. Li, A. Fête, S. Gariglio, J.-M. Triscone, A. Filippetti, P. Delugas, V. Fiorentini, D. Marré, Giant oscillating thermopower at oxide interfaces. Nat. Commun. 6, 6678 (2015), http://www.nature.com/doifinder/10.1038/ncomms7678

37.

G. Berner, S. Glawion, J. Walde, F. Pfaff, H. Hollmark, L.-C. Duda, S. Paetel, C. Richter, J. Mannhart, M. Sing, R. Claessen, LaAlO/SrTiO oxide heterostructures studied by resonant inelastic X-ray scattering. Phys. Rev. B 82, 241405 (2010), http://link.aps.org/doi/10.1103/PhysRevB.82.241405

38.

A. Dubroka, M. Rössle, K.W. Kim, V.K. Malik, L. Schultz, S. Thiel, C.W. Schneider, J. Mannhart, G. Herranz, O. Copie, M. Bibes, A. Barthlmy, C. Bernhard, Dynamical response and confinement of the electrons at the LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. Lett. 104, 156807 (2010), http://link.aps.org/doi/10.1103/PhysRevLett.104.156807

39.

A. Filippetti, V. Fiorentini, Double-exchange driven ferromagnetic metal-paramagnetic insulator transition in Mn-doped CuO. Phys. Rev. B 74, 220401 (2006), http://link.aps.org/doi/10.1103/PhysRevB.74.220401

40.

A. Filippetti, V. Fiorentini, Magnetic ordering under strain and spin-Peierls dimerization in GeCuO3. Phys. Rev. Lett. 98, 196403 (2007), http://link.aps.org/doi/10.1103/PhysRevLett.98.196403

41.

G. Colizzi, A. Filippetti, V. Fiorentini, Multiferroicity and orbital ordering in Pr0.5Ca0.5MnO3 from first principles. Phys. Rev. B 82, 140101 (2010), http://link.aps.org/doi/10.1103/PhysRevB.82.140101

42.

D. Puggioni, A. Filippetti, V. Fiorentini, Ordering and multiple phase transitions in ultrathin nickelate superlattices. Phys. Rev. B 86, 195132 (2012), http://dx.doi.org/10.1103/PhysRevB.86.195132

43.

L. Zhang, X.-F. Zhou, H.-T. Wang, J.-J. Xu, J. Li, E.G. Wang, S.-H. Wei, Origin of insulating behavior of the p-type LaAlO\(_3\)/SrTiO\(_3\) interface: polarization-induced asymmetric distribution of oxygen vacancies. Phys. Rev. B 82, 125412 (2010), http://link.aps.org/doi/10.1103/PhysRevB.82.125412

44.

A. Kalabukhov, R. Gunnarsson, J. Borjesson, E. Olsson, T. Claeson, D. Winkler, Effect of oxygen vacancies in the SrTiO\(_3\) substrate on the electrical properties of the LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. B 75, 121404 (2007), http://link.aps.org/doi/10.1103/PhysRevB.75.121404

45.

W. Siemons, G. Koster, H. Yamamoto, W. Harrison, G. Lucovsky, T.H. Geballe, D.H. Blank, M.R. Beasley, Origin of charge density at LaAlO\(_3\) on SrTiO\(_3\) heterointerfaces: possibility of intrinsic doping. Phys. Rev. Lett. 98, 196802 (2007), http://link.aps.org/doi/10.1103/PhysRevLett.98.196802

46.

Y. Li, S.N. Phattalung, S. Limpijumnong, J. Kim, J. Yu, Formation of oxygen vacancies and charge carriers induced in the n-type interface of a LaAlO3 overlayer on SrTiO\(_3\) (001). Phys. Rev. B 84, 245307 (2011), http://link.aps.org/doi/10.1103/PhysRevB.84.245307

47.

N.C. Bristowe, P.B. Littlewood, E. Artacho, Surface defects and conduction in polar oxide heterostructures. Phys. Rev. B 83, 205405 (2011), http://link.aps.org/doi/10.1103/PhysRevB.83.205405

48.

W.-J. Son, E. Cho, J. Lee, S. Han, Hydrogen adsorption and carrier generation in LaAlO\(_3\)-SrTiO\(_3\) heterointerfaces: a first-principles study. J. Phys. Condens. Matter 22, 315501 (2010), http://stacks.iop.org/0953-8984/22/i=31/a=315501?key=crossref.b074a735f655a7211eedde5a0f98bc00

49.

C. Cazorla, M. Stengel, First-principles modeling of Pt/LaAlO\(_3\)/SrTiO\(_3\) capacitors under an external bias potential. Phys. Rev. B 85, 075426 (2012), http://link.aps.org/doi/10.1103/PhysRevB.85.075426

50.

V. Vonk, J. Huijben, D. Kukuruznyak, A. Stierle, H. Hilgenkamp, A. Brinkman, S. Harkema, Polar-discontinuity-retaining A-site intermixing and vacancies at SrTiO\(_3\)/LaAlO\(_3\) interfaces. Phys. Rev. B 85, 045401 (2012), http://link.aps.org/doi/10.1103/PhysRevB.85.045401

51.

P.R. Willmott, S.A. Pauli, R. Herger, C.M. Schleputz, D. Martoccia, B.D. Patterson, B. Delley, R. Clarke, D. Kumah, C. Cionca, Y. Yacoby, Structural basis for the conducting interface between LaAlO\(_3\) and SrTiO\(_3\). Phys. Rev. Lett. 99, 155502 (2007), http://link.aps.org/doi/10.1103/PhysRevLett.99.155502

52.

G. Berner, A. Mller, F. Pfaff, J. Walde, C. Richter, J. Mannhart, S. Thiess, A. Gloskovskii, W. Drube, M. Sing, R. Claessen, Band alignment in LaAlO/SrTiO oxide heterostructures inferred from hard X-ray photoelectron spectroscopy. Phys. Rev. B 88, 115111 (2013), http://link.aps.org/doi/10.1103/PhysRevB.88.115111

53.

C. Cancellieri, M.L. Reinle-Schmitt, M. Kobayashi, V.N. Strocov, P.R. Willmott, D. Fontaine, Ph. Ghosez, A. Filippetti, P. Delugas, V. Fiorentini, Doping-dependent band structure of LaAlO\(_3\)/SrTiO\(_3\) interfaces by soft X-ray polarization-controlled resonant angle-resolved photoemission. Phys. Rev. B 89, 121412 (2014), http://link.aps.org/doi/10.1103/PhysRevB.89.121412

54.

M. Salluzzo, J.C. Cezar, N.B. Brookes, V. Bisogni, G.M. De Luca, C. Richter, S. Thiel, J. Mannhart, M. Huijben, A. Brinkman, G. Rijnders, G. Ghiringhelli, Orbital reconstruction and the two-dimensional electron gas at the LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. Lett. 102, 166804 (2009), http://link.aps.org/doi/10.1103/PhysRevLett.102.166804

55.

M. Salluzzo, S. Gariglio, X. Torrelles, Z. Ristic, R. Di Capua, J. Drnec, M. Moretti Sala, G. Ghiringhelli, R. Felici, N.B. Brookes, Structural and electronic reconstructions at the LaAlO\(_3\)/SrTiO\(_3\) interface. Adv. Mater. 25, 2333–2338 (2013), http://doi.wiley.com/10.1002/adma.201204555

56.

A. Fête, S. Gariglio, C. Berthod, D. Li, D. Stornaiuolo, M. Gabay, J.M. Triscone, Large modulation of the Shubnikov-de Haas oscillations by the Rashba interaction at the LaAlO\(_3\)/SrTiO\(_3\) interface. New J. Phys. 16, 112002 (2014), http://stacks.iop.org/1367-2630/16/i=11/a=112002?key=crossref.36462db5f9e2db63f1445d97256dabe0

57.

A. Fête, C. Cancellieri, D. Li, D. Stornaiuolo, A.D. Caviglia, S. Gariglio, J.-M. Triscone, Growth-induced electron mobility enhancement at the LaAlO\(_3\)/SrTiO\(_3\) interface. Appl. Phys. Lett. 106, 051604 (2015), http://scitation.aip.org/content/aip/journal/apl/106/5/10.1063/1.4907676

58.

A. Joshua, S. Pecker, J. Ruhman, E. Altman, S. Ilani, A universal critical density underlying the physics of electrons at the LaAlO\(_3\)/SrTiO\(_3\) interface. Nat. Commun. 3, 1129 (2012), http://www.nature.com/doifinder/10.1038/ncomms2116

59.

A.D. Caviglia, M. Gabay, S. Gariglio, N. Reyren, C. Cancellieri, J.-M. Triscone, Tunable Rashba spin-orbit interaction at oxide interfaces. Phys. Rev. Lett. 104, 126803 (2010), http://link.aps.org/doi/10.1103/PhysRevLett.104.126803

60.

A. Fête, S. Gariglio, A.D. Caviglia, J.-M. Triscone, M. Gabay, Rashba induced magnetoconductance oscillations in the LaAlO\(_3\)-SrTiO\(_3\) heterostructure. Phys. Rev. B 86, 201105 (2012), http://link.aps.org/doi/10.1103/PhysRevB.86.201105

61.

P.B. Allen, Boltzmann theory and resistivity of metals, in Quantum Theory of Real Materials, ed. J.R. Chelikowsky, S.G. Louie (Kluwer, Boston, 1996), pp. 219–250

62.

G. Madsen, D. Singh, BoltzTraP, a code for calculating band-structure dependent quantities. Comput. Phys. Commun. 175, 67 (2006), http://linkinghub.elsevier.com/retrieve/pii/S0010465506001305

63.

P. Delugas, A. Filippetti, M.J. Verstraete, I. Pallecchi, D. Marré, V. Fiorentini, Doping-induced dimensional crossover and thermopower burst in Nb-doped SrTiO\(_3\) superlattices. Phys. Rev. B 88, 045310 (2013), http://link.aps.org/doi/10.1103/PhysRevB.88.045310

64.

A. Filippetti, P. Delugas, M.J. Verstraete, I. Pallecchi, A. Gadaleta, D. Marré, D.F. Li, S. Gariglio, V. Fiorentini, Thermopower in oxide heterostructures: the importance of being multiple-band conductors. Phys. Rev. B 86, 195301 (2012), http://link.aps.org/doi/10.1103/PhysRevB.86.195301

65.

S. Altunz, H. Celik, M. Cankurtaran, Temperature and electric field dependences of the mobility of electrons in vertical transport in GaAs/Ga1-yAlyAs barrier structures containing quantum wells. Cent. Eur. J. Phys. 6, 479–490 (2008), http://www.springerlink.com/content/q60113w8rl723807/

66.

D.R. Anderson, N.A. Zakhleniuk, M. Babiker, B.K. Ridley, C.R. Bennett, Polar-optical phonon-limited transport in degenerate GaN-based quantum wells. Phys. Rev. B 63, 245313 (2001), http://link.aps.org/abstract/PRB/v63/e245313

67.

P. Delugas, V. Fiorentini, A. Mattoni, A. Filippetti, Intrinsic origin of two-dimensional electron gas at the (001) surface of SrTiO\(_3\). Phys. Rev. B 91, 115315 (2015), http://link.aps.org/doi/10.1103/PhysRevB.91.115315

68.

K. Kaasbjerg, K.S. Thygesen, A.-P. Jauho, Acoustic phonon limited mobility in two-dimensional semiconductors: deformation potential and piezoelectric scattering in monolayer MoS2 from first principles. Phys. Rev. B 87, 235312 (2013), http://link.aps.org/doi/10.1103/PhysRevB.87.235312

69.

S. Su, J. Ho You, C. Lee, Electron transport at interface of LaAlO\(_3\) and SrTiO\(_3\) band insulators. J. Appl. Phys. 113, 093709 (2013), http://scitation.aip.org/content/aip/journal/jap/113/9/10.1063/1.4794057

70.

M.P. Vaughan, B.K. Ridley, Solution of the Boltzmann equation for calculating the Hall mobility in bulk GaNxAs1-x. Phys. Rev. B 72, 075211 (2005), http://link.aps.org/doi/10.1103/PhysRevB.72.075211

71.

J. Zhou, X. Li, G. Chen, R. Yang, Semiclassical model for thermoelectric transport in nanocomposites. Phys. Rev. B 82, 115308 (2010), http://link.aps.org/doi/10.1103/PhysRevB.82.115308

72.

T. Okuda, K. Nakanishi, S. Miyasaka, Y. Tokura, Thermoelectric response of metallic perovskites. Phys. Rev. B 63, 113104 (2001), http://link.aps.org/doi/10.1103/PhysRevB.63.113104

73.

S. Ohta, T. Nomura, H. Ohta, K. Koumoto, High-temperature carrier transport and thermoelectric properties of heavily La- or Nb-doped SrTiO\(_3\) single crystals. J. of Appl. Phys. 97, 034106 (2005), http://scitation.aip.org/content/aip/journal/jap/97/3/10.1063/1.1847723

74.

M. Ben Shalom, A. Ron, A. Palevski, Y. Dagan, Shubnikov-de Haas oscillations in SrTiO\(_3\)/LaAlO\(_3\) interface. Phys. Rev. Lett. 105, 206401 (2010), http://link.aps.org/doi/10.1103/PhysRevLett.105.206401

75.

A. Jost, V.K. Guduru, S. Wiedmann, J.C. Maan, U. Zeitler, S. Wenderich, A. Brinkman, H. Hilgenkamp, Transport and thermoelectric properties of the LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. B 91, 045304 (2015), http://link.aps.org/doi/10.1103/PhysRevB.91.045304

76.

S. Lerer, M. Ben Shalom, G. Deutscher, Y. Dagan, Low-temperature dependence of the thermomagnetic transport properties of the SrTiO\(_3\)/LaAlO\(_3\) interface. Phys. Rev. B 84, 075423 (2011), http://link.aps.org/doi/10.1103/PhysRevB.84.075423

77.

H.J. Harsan Ma, Z. Huang, W.M. Lu, A. Annadi, S.W. Zeng, L.M. Wong, S.J. Wang, T. Venkatesan, Tunable bilayer two-dimensional electron gas in LaAlO\(_3\)/SrTiO\(_3\) superlattices. Appl. Phys. Lett. 105, 011603 (2014), http://scitation.aip.org/content/aip/journal/apl/105/1/10.1063/1.4887235

78.

T.C. Harman, P.J. Taylor, M.P. Walsh, B.E. LaForge, Quantum dot superlattice thermoelectric materials and devices. Science 297, 2229 (2002), http://www.sciencemag.org/cgi/doi/10.1126/science.1072886

79.

R. Venkatasubramanian, E. Siivola, T. Colpitts, B. O’Quinn, Thin-film thermoelectric devices with high room-temperature figures of merit. Nature 413, 597 (2001), http://www.nature.com/doifinder/10.1038/35098012

80.

K. Biswas, J. He, I.D. Blum, C.-I. Wu, T.P. Hogan, D.N. Seidman, V.P. Dravid, M.G. Kanatzidis, High-performance bulk thermoelectrics with all-scale hierarchical architectures. Nature 489, 414 (2012), http://www.nature.com/doifinder/10.1038/nature11439

81.

H. Ohta, S. Kim, Y. Mune, T. Mizoguchi, K. Nomura, S. Ohta, T. Nomura, Y. Nakanishi, Y. Ikuhara, M. Hirano, H. Hosono, K. Koumoto, Giant thermoelectric Seebeck coefficient of a two-dimensional electron gas in SrTiO\(_3\). Nat. Mater. 6, 129–134 (2007), http://www.nature.com/doifinder/10.1038/nmat1821

82.

H. Ohta, Y. Masuoka, R. Asahi, T. Kato, Y. Ikuhara, K. Nomura, H. Hosono, Field-modulated thermopower in SrTiO\(_3\)-based field-effect transistors with amorphous 12CaO 7Al\(_2\)O\(_3\) glass gate insulator. Appl. Phys. Lett. 95, 113505 (2009), http://scitation.aip.org/content/aip/journal/apl/95/11/10.1063/1.3231873

83.

S. Shimizu, S. Ono, T. Hatano, Y. Iwasa, Y. Tokura, Enhanced cryogenic thermopower in SrTiO\(_3\) by ionic gating. Phys. Rev. B 92, 165304 (2015), http://link.aps.org/doi/10.1103/PhysRevB.92.165304

84.

I. Pallecchi, M. Codda, E. Galleani d’Agliano, D. Marré, A.D. Caviglia, N. Reyren, S. Gariglio, J.-M. Triscone, Seebeck effect in the conducting LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. B 81, 085414 (2010), http://link.aps.org/doi/10.1103/PhysRevB.81.085414

85.

A. Rastogi, S. Tiwari, J.J. Pulikkotil, Z. Hossain, D. Kumar, R.C. Budhani, Doped LaAlO\(_3\)-SrTiO\(_3\) interface: electrical transport and characterization of the interface potential. Europhys. Lett. 106, 57002 (2014), http://stacks.iop.org/0295-5075/106/i=5/a=57002?key=crossref.25dd2df3a410e21729789524c7dc9874

86.

M. Basletic, J.-L. Maurice, C. Carrtro, G. Herranz, O. Copie, M. Bibes, E. Jacquet, K. Bouzehouane, S. Fusil, A. Barthlmy, Mapping the spatial distribution of charge carriers in LaAlO\(_3\)/SrTiO\(_3\) heterostructures. Nat. Mater. 7, 621 (2008), http://www.nature.com/doifinder/10.1038/nmat2223

87.

O. Copie, V. Garcia, C. Bdefeld, C. Carrétéro, M. Bibes, G. Herranz, E. Jacquet, J.-L. Maurice, B. Vinter, S. Fusil, K. Bouzehouane, H. Jaffrs, Barthlmy, Towards two-dimensional metallic behavior at LaAlO\(_3\)/SrTiO\(_3\) interfaces. Phys. Rev. Lett. 102, 216804 (2009), http://link.aps.org/doi/10.1103/PhysRevLett.102.216804

88.

I. Pallecchi, F. Telesio, D. Marré, D. Li, S. Gariglio, J.-M. Triscone, A. Filippetti, Large phonon-drag enhancement induced by narrow quantum confinement at the LaAlO\(_3\)/SrTiO\(_3\) interface. Phys. Rev. B 93, 195309 (2016), http://link.aps.org/doi/10.1103/PhysRevB.93.195309

89.

M. Bailyn, Phonon-drag part of the thermoelectric power in metals. Phys. Rev. 157, 480–485 (1967), https://doi.org/10.1103/PhysRev.157.480

90.

D.G. Cantrell, P.N. Butcher, A calculation of the phonon-drag contribution to the thermopower of quasi-2D electrons coupled to 3D phonons. I. General theory. J. Phys. C: Solid State Phys. 28, 1087 (1985), http://stacks.iop.org/0022-3719/20/i=13/a=014?key=crossref.8bab983124e4b525af037ec6f81b5eb2

91.

D.G. Cantrell, P.N. Butcher, A calculation of the phonon-drag contribution to the thermopower of quasi-2D electrons coupled to 3D phonons: II. Applications. J. Phys. C: Solid State Phys. 28, 1993–2003 (1987), http://stacks.iop.org/0022-3719/20/i=13/a=014?key=crossref.8bab983124e4b525af037

92.

Y. Yamada, H.K. Sato, Y. Hikita, H.Y. Hwang, Y. Kanemitsu, Measurement of the femtosecond optical absorption of LaAlO\(_3\)/SrTiO\(_3\) heterostructures: evidence for an extremely slow electron relaxation at the interface. Phys. Rev. Lett. 111, 047403 (2013), http://link.aps.org/doi/10.1103/PhysRevLett.111.047403

93.

W. Liu, S. Gariglio, A. Fte, D. Li, M. Boselli, D. Stornaiuolo, J.-M. Triscone, Magneto-transport study of top- and back-gated LaAlO\(_3\)/SrTiO\(_3\) heterostructures. APL Mater. 3, 062805 (2015), http://scitation.aip.org/content/aip/journal/aplmater/3/6/10.1063/1.4921068

94.

Y. Mune, H. Ohta, K. Koumoto, T. Mizoguchi, Y. Ikuhara, Enhanced Seebeck coefficient of quantum-confined electrons in SrTiO\(_3\)/SrTi0.8Nb0.2O3 superlattices. Appl. Phys. Lett. 91, 192105 (2007), http://scitation.aip.org/content/aip/journal/apl/91/19/10.1063/1.2809364

95.

B.K. Ridley, Polar-optical-phonon and electron-electron scattering in large-bandgap semiconductors. J. Phys.: Condens. Matter 10, 6717–6726 (1998), http://stacks.iop.org/0953-8984/10/i=30/a=011?key=crossref.62f4e46fbffe8e1ec0e9dbdece463b64

Titel: Ab-Initio Calculations of TMO Band Structure
verfasst von: A. Filippetti
Verlag: Springer International Publishing
Buch: Spectroscopy of Complex Oxide Interfaces
Print ISBN: 978-3-319-74988-4

Electronic ISBN: 978-3-319-74989-1

Copyright-Jahr: 2018
DOI: https://doi.org/10.1007/978-3-319-74989-1_8

Premium Partner

Marktübersichten

Die im Laufe eines Jahres in der „adhäsion“ veröffentlichten Marktübersichten helfen Anwendern verschiedenster Branchen, sich einen gezielten Überblick über Lieferantenangebote zu verschaffen.

Zur Marktübersicht