Empirical tight-binding band structure of zinc-blende nitrides GaN, AlN, and BN

被引:39
作者
Ferhat, M
Zaoui, A
Certier, M
Khelifa, B
机构
[1] LOM, IUT MESURES PHYS, F-57078 METZ, FRANCE
[2] FAC SCI, LPCIA, F-62307 LENS, FRANCE
来源
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 1996年 / 195卷 / 02期
关键词
D O I
10.1002/pssb.2221950210
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The electronic band structure and density of states for zinc-blende nitrides GaN, ALN, and BN are reported using an sp(3)s* tight binding method. The large hand gap found for these compounds is analyzed in terms of chemical and volume deformation effects. The calculated ionicity agrees with the Phillips scale and shows a strongly ionic character for GaN and AIN, while BN is found more covalent.
引用
收藏
页码:415 / 424
页数:10
相关论文
共 52 条
[11]   EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC-SYSTEMS .4. GROUND-STATE PROPERTIES OF CUBIC BORON-NITRIDE [J].
DOVESI, R ;
PISANI, C ;
ROETTI, C ;
DELLAROLE, P .
PHYSICAL REVIEW B, 1981, 24 (08) :4170-4176
[12]   ELECTRONIC AND STRUCTURAL-PROPERTIES OF GAN BY THE FULL-POTENTIAL LINEAR MUFFIN-TIN ORBITALS METHOD - THE ROLE OF THE D-ELECTRONS [J].
FIORENTINI, V ;
METHFESSEL, M ;
SCHEFFLER, M .
PHYSICAL REVIEW B, 1993, 47 (20) :13353-13362
[13]   1ST-PRINCIPLES IONICITY SCALES .1. CHARGE ASYMMETRY IN THE SOLID-STATE [J].
GARCIA, A ;
COHEN, ML .
PHYSICAL REVIEW B, 1993, 47 (08) :4215-4221
[14]   BAND-STRUCTURE AND HIGH-PRESSURE PHASE-TRANSITION IN GAN [J].
GORCZYCA, I ;
CHRISTENSEN, NE .
SOLID STATE COMMUNICATIONS, 1991, 80 (05) :335-338
[15]  
GRINYAYEV SN, 1986, IZV VUZ FIZ+, V29, P69
[16]  
HARRISON WA, 1960, ELECTRONIC STRUCTURE
[17]   ENERGY BAND STRUCTURE OF ALN [J].
HEJDA, B ;
HAUPTMANOVA, K .
PHYSICA STATUS SOLIDI, 1969, 36 (02) :K95-+
[18]   ELECTRONIC BAND-STRUCTURE AND OPTICAL PROPERTIES OF 3C-SIC, BP, AND BN [J].
HEMSTREE.LA ;
FONG, CY .
PHYSICAL REVIEW B, 1972, 6 (04) :1464-&
[19]   A MINIMAL BASIS SEMI-ABINITIO APPROACH TO THE BAND STRUCTURES OF SEMICONDUCTORS [J].
HUANG, MZ ;
CHING, WY .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1985, 46 (08) :977-995
[20]   ENERGY-BAND AND PIEZOELECTRIC CALCULATIONS ON CUBIC BORON-NITRIDE [J].
HWANG, HC ;
HENKEL, JH .
PHYSICAL REVIEW B, 1978, 17 (10) :4100-4103