论文标题
Wurtzite-Boron氮化物的电子，振动和光学特性的压力依赖性
Pressure Dependence of Electronic, Vibrational and Optical Properties of wurtzite-Boron Nitride
论文作者
论文摘要
Wurtzite Boron Nitride（$ W $ bn）是具有特殊机械性能（硬度和刚度）的宽带隙BN多晶型物。在1963年首次合成作为在高温和压力条件下的六边形BN（$ h $ bn）的转化之后，为了在大气压力下稳定Wurtzite期，已经取得了很多进展。如今，最终可以结晶质量样品。这一事实激发了我们对$ w $ bn的电子，振动和光吸收和发射特性的首次原理研究。鉴于潜在地使用$ w $ bn作为介电以集成基于BN的技术和恶劣环境应用程序，我们的发现很重要。
Wurtzite Boron Nitride ($w$BN) is a wide band gap BN polymorph with peculiar mechanical properties (hardness and stiffness). After its first synthesis in 1963 as a transformation of hexagonal BN ($h$BN) under high temperature and pressure conditions, a lot of progress have been made in order to stabilize wurtzite phase at atmospheric pressure. Today the crystallization of good quality samples is finally possible. This fact motivates our first principles study of the electronic, vibrational and light absorption and emission properties of $w$BN over a wide range of pressures. Our findings are important in view of the potential use of $w$BN as a dielectric for integration in BN-based technologies in optoelectronics and harsh environment applications.
