Turning SrTiO3 into a Mott insulator

被引：30

作者：

Bjaalie, L. ^{[1
]}

Janotti, A. ^{[1
]}

Himmetoglu, B. ^{[1
]}

Van de Walle, C. G. ^{[1
]}

机构：

[1] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

来源：

PHYSICAL REVIEW B | 2014年 / 90卷 / 19期

关键词：

TOTAL-ENERGY CALCULATIONS; GAS;

D O I：

10.1103/PhysRevB.90.195117

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

SrTiO3 (STO) is at the core of recent discoveries of two-dimensional electron gas (2DEG) formation at complex oxide interfaces, with the 2DEG residing on the STO side. Experimental results for ultrathin STO layers inserted in GdTiO3 reveal a transition from metallic to insulating behavior, and suggest a strong interplay between electron-electron interaction and lattice distortions. Using first-principles calculations, we show that the metal-to-insulator transition is a bulk property of STO that emerges at extreme doping levels. We find that doping with 1/4 electron per Ti atom produces a metallic phase as expected, but that adding 1/2 electron per Ti results in a charge-orderedMott-insulating phase. The effects of electron-electron interactions and lattice distortions are disentangled, and the Mott-insulator phase is shown to occur in STO/LaAlO3 and STO/GdTiO3 heterostructures with ultrathin STO layers.

引用

页数：4

共 22 条

[1] Oxide interfaces for novel electronic applications [J].

Bjaalie, L. ;

Himmetoglu, B. ;

Weston, L. ;

Janotti, A. ;

Van de Walle, C. G. .

NEW JOURNAL OF PHYSICS, 2014, 16

[2] La-doped SrTiO3 films with large cryogenic thermoelectric power factors [J].

Cain, Tyler A. ;

Kajdos, Adam P. ;

Stemmer, Susanne .

APPLIED PHYSICS LETTERS, 2013, 102 (18)

[3] OPTICAL PROPERTIES AND BAND STRUCTURE OF SRTIO3 AND BATIO3 [J].

CARDONA, M .

PHYSICAL REVIEW, 1965, 140 (2A) :A651-&

[4] Dimer Mott insulator in an oxide heterostructure [J].

Chen, Ru ;

Lee, SungBin ;

Balents, Leon .

PHYSICAL REVIEW B, 2013, 87 (16)

[5] Screened hybrid functional applied to 3d0→3d8 transition-metal perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties [J].

He, Jiangang ;

Franchini, Cesare .

PHYSICAL REVIEW B, 2012, 86 (23)

[6]

Heyd J, 2006, J CHEM PHYS, V124, DOI [10.1063/1.2204597, 10.1063/1.1564060]

[7] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[8]

Hwang HY, 2012, NAT MATER, V11, P103, DOI [10.1038/nmat3223, 10.1038/NMAT3223]

[9] Large Seebeck coefficients and thermoelectric power factor of La-doped SrTiO3 thin films [J].

Jalan, Bharat ;

Stemmer, Susanne .

APPLIED PHYSICS LETTERS, 2010, 97 (04)

[10] Controlling the density of the two-dimensional electron gas at the SrTiO3/LaAlO3 interface [J].

Janotti, A. ;

Bjaalie, L. ;

Gordon, L. ;

Van de Walle, C. G. .

PHYSICAL REVIEW B, 2012, 86 (24)

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