Ab initio calculation of excitons in ZnO

被引：60

作者：

Laskowski, R ^{[1
]}

Christensen, NE

机构：

[1] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark

[2] Vienna Univ Technol, Inst Mat Chem, A-1060 Vienna, Austria

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.73.045201

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The optical absorption and excitonic properties of wurtzite ZnO are investigated by means of an ab initio approach taking into account electron-hole correlations. This is done by solving the Bethe-Salpeter equation, using the results of density functional theory calculations as a starting point. Our main focus is the calculation of the band edge optical spectra. We have identified ground states for three excitons (A, B, and C), with binding energies around 68 meV. Excitons A and B are excited mainly by light polarized perpendicular to the c crystallographic axis. The C exciton absorbs mainly light polarized parallel to the c axis. Due to spin-orbit interactions, excitons A and C show a tiny absorption for the parallel polarization and perpendicular polarizations, respectively.

引用

页数：7

共 45 条

[1] Biexcitons and their dephasing processes in ZnO [J].

Adachi, S ;

Hazu, K ;

Sota, T ;

Chichibu, S ;

Cantwell, G ;

Reynolds, DC ;

Litton, CW .

FOURTH INTERNATIONAL CONFERENCE ON PHYSICS OF LIGHT-MATTER COUPLING IN NANOSTRUCTURES (PLMCN4), 2005, 2 (02) :890-895

[2] QUANTUM THEORY OF DIELECTRIC CONSTANT IN REAL SOLIDS [J].

ADLER, SL .

PHYSICAL REVIEW, 1962, 126 (02) :413-+

[3] Ab initio calculation of excitonic effects in the optical spectra of semiconductors [J].

Albrecht, S ;

Reining, L ;

Del Sole, R ;

Onida, G .

PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4510-4513

[4] BAND THEORY AND MOTT INSULATORS - HUBBARD-U INSTEAD OF STONER-I [J].

ANISIMOV, VI ;

ZAANEN, J ;

ANDERSEN, OK .

PHYSICAL REVIEW B, 1991, 44 (03) :943-954

[5] DENSITY-FUNCTIONAL THEORY AND NIO PHOTOEMISSION SPECTRA [J].

ANISIMOV, VI ;

SOLOVYEV, IV ;

KOROTIN, MA ;

CZYZYK, MT ;

SAWATZKY, GA .

PHYSICAL REVIEW B, 1993, 48 (23) :16929-16934

[6] Optically pumped lasing of ZnO at room temperature [J].

Bagnall, DM ;

Chen, YF ;

Zhu, Z ;

Yao, T ;

Koyama, S ;

Shen, MY ;

Goto, T .

APPLIED PHYSICS LETTERS, 1997, 70 (17) :2230-2232

[7] Optical absorption of insulators and the electron-hole interaction: An ab initio calculation [J].

Benedict, LX ;

Shirley, EL ;

Bohn, RB .

PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4514-4517

[8]

Blaha P., 2001, COMPUTER CODE WIEN2K

[9] Exciton-polariton spectra and limiting factors for the room-temperature photoluminescence efficiency in ZnO [J].

Chichibu, SF ;

Uedono, A ;

Tsukazaki, A ;

Onuma, T ;

Zamfirescu, M ;

Ohtomo, A ;

Kavokin, A ;

Cantwell, G ;

Litton, CW ;

Sota, T ;

Kawasaki, M .

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2005, 20 (04) :S67-S77

[10] Electronic structure calculations for semiconductors under pressure [J].

Christensen, NE .

HIGH PRESSURE IN SEMICONDUCTOR PHYSICS I, 1998, 54 :49-144

← 1 2 3 4 5 →