Wurtzite structure Sc1-xAlxN solid solution films grown by reactive magnetron sputter epitaxy: Structural characterization and first-principles calculations

被引：145

作者：

Hoglund, Carina ^{[1
]}

Birch, Jens ^{[1
]}

Alling, Bjorn ^{[2
]}

Bareno, Javier ^{[1
]}

Czigany, Zsolt ^{[3
]}

Persson, Per O. A. ^{[1
]}

Wingqvist, Gunilla ^{[1
]}

Zukauskaite, Agne ^{[1
]}

Hultman, Lars ^{[1
]}

机构：

[1] Linkoping Univ, Thin Film Phys Div, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden

[2] Linkoping Univ, Theory & Modeling Div, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden

[3] Hungarian Acad Sci, Res Inst Tech Phys & Mat Sci, HU-1525 Budapest, Hungary

来源：

JOURNAL OF APPLIED PHYSICS | 2010年 / 107卷 / 12期

基金：

瑞典研究理事会;

关键词：

TOTAL-ENERGY CALCULATIONS; THIN-FILMS; SCN; CRYSTALS; INN; GAN;

D O I：

10.1063/1.3448235

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

AlN(0001) was alloyed with ScN with molar fractions up to similar to 22%, while retaining a single-crystal wurtzite (w-) structure and with lattice parameters matching calculated values. Material synthesis was realized by magnetron sputter epitaxy of thin films starting from optimal conditions for the formation of w-AlN onto lattice-matched w-AlN seed layers on Al2O3(0001) and MgO(111) substrates. Films with ScN contents between 23% and similar to 50% exhibit phase separation into nanocrystalline ScN and AlN, while ScN-rich growth conditions yield a transformation to rocksalt structure Sc1-xAlxN(111) films. The experimental results are analyzed with ion beam analysis, x-ray diffraction, and transmission electron microscopy, together with ab initio calculations of mixing enthalpies and lattice parameters of solid solutions in wurtzite, rocksalt, and layered hexagonal phases. (C) 2010 American Institute of Physics. [doi:10.1063/1.3448235]

引用

页数：7

共 36 条

[1] Influence of growth temperature and scandium concentration on piezoelectric response of scandium aluminum nitride alloy thin films [J].

Akiyama, Morito ;

Kano, Kazuhiko ;

Teshigahara, Akihiko .

APPLIED PHYSICS LETTERS, 2009, 95 (16)

[2] Enhancement of Piezoelectric Response in Scandium Aluminum Nitride Alloy Thin Films Prepared by Dual Reactive Cosputtering [J].

Akiyama, Morito ;

Kamohara, Toshihiro ;

Kano, Kazuhiko ;

Teshigahara, Akihiko ;

Takeuchi, Yukihiro ;

Kawahara, Nobuaki .

ADVANCED MATERIALS, 2009, 21 (05) :593-+

[3] Surface and bulk electronic structure of ScN(001) investigated by scanning tunneling microscopy/spectroscopy and optical absorption spectroscopy [J].

Al-Brithen, HA ;

Smith, AR ;

Gall, D .

PHYSICAL REVIEW B, 2004, 70 (04) :045303-1

[4] Mixing and decomposition thermodynamics of c-Ti1-xAlxN from first-principles calculations [J].

Alling, B. ;

Ruban, A. V. ;

Karimi, A. ;

Peil, O. E. ;

Simak, S. I. ;

Hultman, L. ;

Abrikosov, I. A. .

PHYSICAL REVIEW B, 2007, 75 (04)

[5] Electronic origin of the isostructural decomposition in cubic M1-xAlxN (M=Ti, Cr, Sc, Hf): A first-principles study [J].

Alling, B. ;

Karimi, A. ;

Abrikosov, I. A. .

SURFACE & COATINGS TECHNOLOGY, 2008, 203 (5-7) :883-886

[6] Piezoelectricity of ordered (ScxGa1-xN) alloys from first principles [J].

Alsaad, A. ;

Ahmad, A. .

EUROPEAN PHYSICAL JOURNAL B, 2006, 54 (02) :151-156

[7]

Birch J, 2002, VACUUM SCIENCE AND TECHNOLOGY: NITRIDES AS SEEN BY THE TECHNOLOGY 2002, P421

[8] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[9] MICROHARDNESS OF SINGLE CRYSTALS OF BEO AND OTHER WURTZITE COMPOUNDS [J].

CLINE, CF ;

KAHN, JS .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1963, 110 (07) :773-775

[10] Properties of hexagonal ScN versus wurtzite GaN and InN [J].

Farrer, N ;

Bellaiche, L .

PHYSICAL REVIEW B, 2002, 66 (20) :2012031-2012034

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