Electronic properties of semiconducting graphitic microtubules

Studying the properties of carbon nanotubes with the functional integration method

“…This is a serious simplification that needs verification. We can compare our results with those calculated with the LCAO method [10], [11], which is very laborious and requires taking correlation effects into account for obtaining collective states. Recent experiments and calculations have demonstrated that "achiral" arm-chair nanotubes prevail among catalytically obtained single-wall nanotubes, and we therefore present experimental data for them.…”

“…We therefore do not consider Eqs. (11) and (12) as yet, regarding the nuclei as stable and as generating a constant field that depends only on the radius. It differs from V eff .…”

Theoretical study of atomic chemisorption on single-walled carbon nanotubes. Application of Anderson–Newns model

“…where fðrÞ stands for the p-type electron wave function of the carbon atom and N ¼ 4p denotes the number of the lattice sites contained in the length of one period along the axis of the zig-zag SWCNT ðp; 0Þ [37]. Rather than attempting to calculate the hopping integral (13) from first principles, we treat it as a phenomenological parameter that accounts for the chemical bond between an adatom and a SWCNT.…”

Исследование Свойств Углеродных Нанотрубок Методом Функционального Интеграла

“…Это серьезное упрощение, и оно нуждается в проверке. Можно сравнить наши результаты с расчитаными по LCAO-методу [10], [11], очень трудо-емкому и требующему учета эффектов корреляции для получения коллективных состояний. Недавние эксперименты и расчеты показали, что "акиральные" кресло-подобные нанотрубки превалируют среди каталитически полученных одностенных трубок, и поэтому экспериментальные спектры приводятся для них.…”