Phonon dispersion and phonon densities of states for ZnS and ZnTe*

نویسنده

  • N. Vagelatos
چکیده

Neutron scattering data are reported for II·VI zincblende crystals, which are believed to be of suf· ficient precision to refine earlier ZnS ambiguities and to provide a basis for model fitting compar· able to existing III· V results. Valence shell models, including 9-12 parameters (VSM) and a vari· able shell charge extension (VCM), were fit to the data and used to generate phonon density of states and Debye temperatures. Very good fits to the neutron data were obtained, but no model was found that also predicts an accurate set of electric and mechanical constants. It is concluded that an unambiguous ionic charge Z cannot be assigned from the neutron results in either case.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Theory of Nonlinear s-Polarized Phonon-Polaritons in Multilayered Structures

A theory is presented for the dispersion relations of the nonlinear phonon-polaritons arising when phonons are coupled to the electromagnetic waves in multilayered structures of nonlinear materials. The calculations are applied to a multilayered structure consisting of a thin film surrounded by semi-infinite bounding media where each layer may have a frequency dependent dielectric function and ...

متن کامل

بررسی ابتدا به ساکن خواص مکانیکی و گرمایی نانولوله‌های GaN با استفاده از محاسبات فونونی

In this work, we calculated the phonon dispersion of GaNNTs (4,0) and (4,4) by quantum ESPRESSO package using Density Functional Theory (DFT), pseudo potentials, and plane wave self-consistent field (PWscf) method. For the purpose of lattice-dynamical calculation and phononic properties, we used PWscf and Phonon codes. The former produces the self-consistent electronic and all related computati...

متن کامل

A B INITIO CALCULATION OF THE KC1 PHONON FREQUENCIES

We have calculated the phonon frequencies of KC1 along symmetry directions using an approach which is a combination of the frozen phonon and force constants methods. We also calculated Griineisen parameters for all modes at X and L points in the Brillouin zone. Finally, the slope of acoustic dispersion curves around zone center were used to calculate the three independent elastic coefficien...

متن کامل

اثر پارامترهای کشسانی و ساختاری بر خواص فونونی و گرمایی یک نانو بلور با ساختار مکعبی ساده

In this paper, we study the phonon and thermal properties of a nanocrystal by using transfer matrix method in the harmonic approximation. The considered system is a mass-spring nanocrystal with a square cross section. At first, for the ideal case, we obtain the phonon spectrum with free boundary conditions. Then we calculate some phonon transport properties of this system, namely, the phonon de...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2003