We present a tight-binding molecular-dynamics investigation on the structural, elastic and electronic properties of the smallest periodic tetrahedral carbon schwarzites fcc-$\rm (C_{28})_2$, fcc-$\rm (C_{36})_2$ and fcc-$\rm (C_{40})_2$. Although their unit cells are equivalent to the fullerenes $\rm C_{20}$, $\rm C_{28}$ and $\rm C_{32}$, respectively, their stability is found to be much higher. Moreover they present alternatively metallic or insulating character, which would make this class of hypothetical materials suitable to a wide range of applications
911-916<span style="font-size:11.0pt;font-family: " times="" new="" roman";mso-fareast-font-family:...
We study a hypothetical form of solid carbon C28C, with a unit cell which is composed of the C-28 fu...
Local density-functional total-energy calculations reveal a model for quasispherical nested fulleren...
Abstract. Elastic, electronic and vibrational properties of seven models of nanoporous carbon are re...
In this paper, we present computational results for C20 based solids. We propose structures that are...
The recent synthesis of random schwarzites has stimulated the present ab initio calculation of the e...
Ab initio SCF Hartree-Fock calculations have been carried out on all the fullerene isomers of C$\sb{...
We use ab initio density functional calculations to study the stability, elastic properties and elec...
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
The electronic structure of small fullerenes determined experimentally by anion photoelectron spectr...
A systematic study of the structural and electronic properties of the 17 Si38 fullerene cage isomers...
Carbon has shown itself to be the most flexible of atoms, crystallizing in divergent phases such as ...
The energy landscape of carbon is exceedingly complex, hosting diverse and important metastable phas...
The possibility of stable non-carbon fullerenes is discussed for the case of phosphorus fullerene-li...
We study a hypothetical form of solid carbon C28C, with a unit cell which is composed of the C28 ful...
911-916<span style="font-size:11.0pt;font-family: " times="" new="" roman";mso-fareast-font-family:...
We study a hypothetical form of solid carbon C28C, with a unit cell which is composed of the C-28 fu...
Local density-functional total-energy calculations reveal a model for quasispherical nested fulleren...
Abstract. Elastic, electronic and vibrational properties of seven models of nanoporous carbon are re...
In this paper, we present computational results for C20 based solids. We propose structures that are...
The recent synthesis of random schwarzites has stimulated the present ab initio calculation of the e...
Ab initio SCF Hartree-Fock calculations have been carried out on all the fullerene isomers of C$\sb{...
We use ab initio density functional calculations to study the stability, elastic properties and elec...
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
The electronic structure of small fullerenes determined experimentally by anion photoelectron spectr...
A systematic study of the structural and electronic properties of the 17 Si38 fullerene cage isomers...
Carbon has shown itself to be the most flexible of atoms, crystallizing in divergent phases such as ...
The energy landscape of carbon is exceedingly complex, hosting diverse and important metastable phas...
The possibility of stable non-carbon fullerenes is discussed for the case of phosphorus fullerene-li...
We study a hypothetical form of solid carbon C28C, with a unit cell which is composed of the C28 ful...
911-916<span style="font-size:11.0pt;font-family: " times="" new="" roman";mso-fareast-font-family:...
We study a hypothetical form of solid carbon C28C, with a unit cell which is composed of the C-28 fu...
Local density-functional total-energy calculations reveal a model for quasispherical nested fulleren...