Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys

被引：33

作者：

Mu, Sai ^{[1
]}

Peelaers, Hartwin ^{[2
]}

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

机构：

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

[2] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA

来源：

APPLIED PHYSICS LETTERS | 2019年 / 115卷 / 24期

基金：

美国国家科学基金会;

关键词：

BETA-GA2O3; SINGLE-CRYSTALS; APPROXIMATION; ABSORPTION; SCATTERING; TRANSPORT;

D O I：

10.1063/1.5131755

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We compute the lattice thermal conductivity of monoclinic beta-Ga2O3 and the ordered AlGaO3 alloy from the phonon Boltzmann transport equation, with the harmonic and third-order anharmonic force constants calculated from density functional theory. The calculated thermal conductivity of beta-Ga2O3 is consistent with experiment. We demonstrate that the lowest-energy structure of an Al0.5Ga0.5 alloy, which is ordered, has a thermal conductivity that is raised by more than 70% compared to beta-Ga2O3. We attribute the enhancement to (1) increased group velocities and (2) reduced anharmonic scattering rates due to the reduced weighted phase space. The findings offer an avenue toward improved heat dissipation from Ga2O3 devices.

引用

页数：5

共 34 条

[1] Demonstration of β-(AlxGa1-x)2O3/β-Ga2O3 modulation doped field-effect transistors with Ge as dopant grown via plasma-assisted molecular beam epitaxy [J].

Ahmadi, Elaheh ;

Koksaldi, Onur S. ;

Zheng, Xun ;

Mates, Tom ;

Oshima, Yuichi ;

Mishra, Umesh K. ;

Speck, James S. .

APPLIED PHYSICS EXPRESS, 2017, 10 (07)

[2] A reinvestigation of beta-gallium oxide [J].

Ahman, J ;

Svensson, G ;

Albertsson, J .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1996, 52 :1336-1338

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

BLOCHL, PE .

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

[4]

Delaire O, 2011, NAT MATER, V10, P614, DOI [10.1038/NMAT3035, 10.1038/nmat3035]

[5] On the bulk β-Ga2O3 single crystals grown by the Czochralski method [J].

Galazka, Zbigniew ;

Irmscher, Klaus ;

Uecker, Reinhard ;

Bertram, Rainer ;

Pietsch, Mike ;

Kwasniewski, Albert ;

Naumann, Martin ;

Schulz, Tobias ;

Schewski, Robert ;

Klimm, Detlef ;

Bickermann, Matthias .

JOURNAL OF CRYSTAL GROWTH, 2014, 404 :184-191

[6] OBSERVATION OF STRONG ORDERING IN GAXIN1-XP ALLOY SEMICONDUCTORS [J].

GOMYO, A ;

SUZUKI, T ;

IIJIMA, S .

PHYSICAL REVIEW LETTERS, 1988, 60 (25) :2645-2648

[7] Dynamical matrices, born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory [J].

Gonze, X ;

Lee, C .

PHYSICAL REVIEW B, 1997, 55 (16) :10355-10368

[8] Anisotropic thermal conductivity in single crystal β-gallium oxide [J].

Guo, Zhi ;

Verma, Amit ;

Wu, Xufei ;

Sun, Fangyuan ;

Hickman, Austin ;

Masui, Takekazu ;

Kuramata, Akito ;

Higashiwaki, Masataka ;

Jena, Debdeep ;

Luo, Tengfei .

APPLIED PHYSICS LETTERS, 2015, 106 (11)

[9] Temperature-dependent thermal conductivity in Mg-doped and undoped β-Ga2O3 bulk-crystals [J].

Handwerg, M. ;

Mitdank, R. ;

Galazka, Z. ;

Fischer, S. F. .

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2015, 30 (02)

[10] Guest Editorial: The dawn of gallium oxide microelectronics [J].

Higashiwaki, Masataka ;

Jessen, Gregg H. .

APPLIED PHYSICS LETTERS, 2018, 112 (06)

← 1 2 3 4 →