Hybrid density functional theory studies of AlN and GaN under uniaxial strain

The structural stability, spontaneous polarization, piezoelectric response, and electronic structure of AlN and GaN under uniaxial strain along the [0001] direction are systematically investigated using HSE06 range-separated hybrid functionals. Our results exhibit interesting behavior. (i) AlN and G...

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Veröffentlicht in:	Journal of physics. Condensed matter 2013-01, Vol.25 (4), p.045801-11
Hauptverfasser:	Qin, Lixia, Duan, Yifeng, Shi, Hongliang, Shi, Liwei, Tang, Gang
Format:	Artikel
Sprache:	eng
Schlagworte:	Aluminum Compounds - chemistry Aluminum nitride Compressive properties Computer Simulation Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Dielectrics, piezoelectrics, and ferroelectrics and their properties Exact sciences and technology Gallium - chemistry Gallium nitrides Graphite - chemistry Lattice dynamics Materials Testing Models, Statistical Molecular Conformation Phonon states and bands, normal modes, and phonon dispersion Phonons and vibrations in crystal lattices Physics Physics - methods Piezoelectricity Piezoelectricity and electromechanical effects Polarization Semiconductors Software Strain Stress, Mechanical Tensile Strength Wurtzite
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