Zobrazeno 1 - 10
of 150
pro vyhledávání: '"Kharche, Neerav"'
A first-principles approach is demonstrated to calculate the relationship between aqueous semiconductor interface structure and energy level alignment. The physical interface structure is sampled using density functional theory based molecular dynami
Externí odkaz:
http://arxiv.org/abs/1409.3631
Autor:
Jiang, Xueping, Kharche, Neerav, Kohl, Paul, Boykin, Timothy B., Klimeck, Gerhard, Luisier, Mathieu, Ajayan, Pulickel M., Nayak, Saroj K.
Publikováno v:
Appl. Phys. Lett. 103 , 133107 (2013)
In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy of electrons due to the dielectric screening. While recent theoretical
Externí odkaz:
http://arxiv.org/abs/1309.3226
Autor:
Simbeck, Adam J., Gu, Deyang, Kharche, Neerav, Satyam, Parlapalli Venkata, Avouris, Phaedon, Nayak, Saroj K.
Publikováno v:
Physical Review B 88, 035413 (2013)
The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theory (DFT). Our study shows that O-passivation results in a rich geometr
Externí odkaz:
http://arxiv.org/abs/1306.5467
Autor:
Kharche, Neerav, Nayak, Saroj K.
Graphene holds great promise for post-silicon electronics, however, it faces two main challenges: opening up a bandgap and finding a suitable substrate material. In principle, graphene on hexagonal boron nitride (hBN) substrate provides potential sys
Externí odkaz:
http://arxiv.org/abs/1110.5702
Publikováno v:
Appl. Phys. Lett. 100, 103502 (2012)
A sharp potential barrier at the Si/SiGe interface introduces valley splitting (VS), which lifts the 2-fold valley degeneracy in strained SiGe/Si/SiGe quantum wells (QWs). This work examines in detail the effects of Si/SiGe interface disorder on the
Externí odkaz:
http://arxiv.org/abs/1110.4097
Publikováno v:
ACS Nano, 2011, 5 (8), pp 6096-6101
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals interactions. Mult
Externí odkaz:
http://arxiv.org/abs/1107.3239
Autor:
Boykin, Timothy B., Luisier, Mathieu, Klimeck, Gerhard, Jiang, Xueping, Kharche, Neerav, Zhou, Yu, Nayak, Saroj K.
Publikováno v:
J. Appl. Phys. 109, 104304 (2011)
Accurate modeling of the pi-bands of armchair graphene nanoribbons (AGNRs) requires correctly reproducing asymmetries in the bulk graphene bands as well as providing a realistic model for hydrogen passivation of the edge atoms. The commonly used sing
Externí odkaz:
http://arxiv.org/abs/1102.1718
Publikováno v:
IEEE Transactions on Electron Devices, 58(7), pp 1963 - 1971
A simulation methodology for ultra-scaled InAs quantum well field effect transistors (QWFETs) is presented and used to provide design guidelines and a path to improve device performance. A multiscale modeling approach is adopted, where strain is comp
Externí odkaz:
http://arxiv.org/abs/1012.0536
Autor:
Ahmed, Shaikh, Kharche, Neerav, Rahman, Rajib, Usman, Muhammad, Lee, Sunhee, Ryu, Hoon, Bae, Hansang, Clark, Steve, Haley, Benjamin, Naumov, Maxim, Saied, Faisal, Korkusinski, Marek, Kennel, Rick, McLennan, Michael, Boykin, Timothy B., Klimeck, Gerhard
The rapid progress in nanofabrication technologies has led to the emergence of new classes of nanodevices and structures. At the atomic scale of novel nanostructured semiconductors the distinction between new device and new material is blurred and de
Externí odkaz:
http://arxiv.org/abs/0901.1890
Publikováno v:
Appl. Phys. Lett. 94, 042101 (2009)
(111) Silicon quantum wells have been studied extensively, yet no convincing explanation exists for the experimentally observed breaking of 6 fold valley degeneracy into 2 and 4 fold degeneracies. Here, systematic sp3d5s* tight-binding and effective
Externí odkaz:
http://arxiv.org/abs/0812.3681