Theoretical Investigations of Lattice Dynamical and Optical Properties of Solids and the Stability and Doping of Semiconductors

固体晶格动力学和光学性质以及半导体稳定性和掺杂的理论研究

• 批准号: 9319404
• 负责人: Alexei Maradudin
• 金额: $ 24.9万
• 依托单位: University of California-Irvine
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-03-01 至 1999-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9319404&HistoricalAwards=false
• 关键词: Theoretical; Investigations; Lattice; Dynamical; Optical

9319404 Maradudin This proposal concerns several aspects of materials theory; anharmonic interactions in crystals, optical properties of solids and the doping of semiconductor systems. (1a) First principles calculations of the anharmonic force constants and phonon linewidths in Al and Cu will be performed. (1b) Calculations of the ultrasonic attenuation in Si will be attempted. (2a) The nonreciprocal photonic band structure effects in n-type semiconductors in magnetic fields will be investigated. (2b) Light localization in infinite periodic arrays of dielectric rods will be studied. (3a) The stability of ternary alloys of III-V semiconductors deposited on semiconductor substrates will be examined from the point of view of elastic energy effects. (3b) The equilibrium doping of boron in silicon will be studied taking special account of vibrational contributions to the free energy. %%% This proposal concerns the calculation of a wide variety of materials properties in specific systems. It is divided into three broad areas. The first concerns vibrational properties of metals and semiconductors - specifically how sound is attenuated in silicon and how harmonic are the vibrations in simple metals. The second involves how light may be trapped or may be manipulated in carefully constructed periodic materials. The third studies the stability of semiconductor alloys that are adsorbed on other semiconductors and why it is difficult to dope silicon with boron (a useful dopant if it could be achieved). ***

9319404 Maradudin这个建议涉及材料理论的几个方面;晶体中的非谐相互作用，固体的光学性质和半导体系统的掺杂。 (1a)第一性原理计算的非谐力常数和声子线宽在铝和铜将被执行。 (1b)将尝试计算硅中的超声衰减。 (2a)本文将研究磁场中n型半导体的非互易光子带结构效应。 (2b)研究了无限长周期介质棒阵列中的光局域化问题。 (3a)将从弹性能效应的角度研究沉积在半导体衬底上的III-V族半导体三元合金的稳定性。 (3b)将研究硅中硼的平衡掺杂，特别考虑振动对自由能的贡献。 %%%本提案涉及特定系统中各种材料特性的计算。 它分为三大领域。 第一个是关于金属和半导体的振动特性-特别是声音在硅中是如何衰减的，以及简单金属中的振动是如何谐波的。 第二个问题涉及光如何被捕获或如何在精心构造的周期性材料中被操纵。 第三个研究吸附在其他半导体上的半导体合金的稳定性，以及为什么难以用硼掺杂硅（如果可以实现的话，这是一种有用的掺杂剂）。 ***