Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Kaloni, Thaneshwor P."'
Autor:
Kaloni, Thaneshwor P.
This thesis covers the structural, electronic, magnetic, and vibrational properties of graphene and silicene. In Chapter I, we will start with an introduction to graphene and silicene. In Chapter II, we will briefly discuss about the methodology (i.
Externí odkaz:
http://hdl.handle.net/10754/311368
Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density functional t
Externí odkaz:
http://arxiv.org/abs/2002.05877
Publikováno v:
In Annals of Nuclear Energy 1 December 2023 193
Autor:
Kaloni, Thaneshwor P., Chang, Kai, Miller, Brandon J., Xue, Qi-Kun, Chen, Xi, Ji, Shuai-Hua, Parkin, Stuart S. P., Barraza-Lopez, Salvador
Publikováno v:
Physical Review B 99, 134108 (2019)
SnTe hosts ferroelectricity that competes with its weak non-trivial band topology: in the high-symmetry rocksalt structure--in which its intrinsic electric dipole is quenched--this material develops metallic surface bands, but in its rhombic ground-s
Externí odkaz:
http://arxiv.org/abs/1904.01702
Publikováno v:
ACS Cent. Sci. 4, 1436 (2018)
The experimental exfoliation of layered group-IV monochalcogenides --semiconductors isostructural to black phosphorus-- using processes similar to those followed in the production of graphene or phosphorene has turned out unsuccessful thus far, as if
Externí odkaz:
http://arxiv.org/abs/1810.02841
Autor:
Andharia, Eesha, Kaloni, Thaneshwor P., Salamo, Gregory J., Yu, Shui-Qing, Churchill, Hugh O. H., Barraza-Lopez, Salvador
Publikováno v:
Phys. Rev. B 98, 035420 (2018)
Effects that are not captured by the generalized-gradient density-functional theory play a prominent effect on the structural binding, and on the electronic and optical properties of reduced-dimensional and weakly-bound materials. Here, we report the
Externí odkaz:
http://arxiv.org/abs/1709.04575
Publikováno v:
Phys. Rev. B 97, 024110 (2018)
Coordination-related, two-dimensional (2D) structural phase transitions are a fascinating and novel facet of two-dimensional materials with structural degeneracies. Nevertheless, a unified theoretical account of these transitions remains absent, and
Externí odkaz:
http://arxiv.org/abs/1709.04581
Based on first-principles calculations, the materials properties (structural, electronic, vibrational, and optical properties) of out-of-plane heterostructures formed from the transiti on metal dichalcogenides, specifically MoS$_2$-WSe$_2$ and WS$_2$
Externí odkaz:
http://arxiv.org/abs/1602.00028
Autor:
Kaloni, Thaneshwor P., Modarresi, Mohsen, Tahir, Muhammad, Roknabadi, Mahmood Rezaee, Schreckenbach, Georg, Freund, Michael S.
First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding calculatio
Externí odkaz:
http://arxiv.org/abs/1504.04601
Adsorption of eight organic molecules (acetone, acetonitrile, ammonia, benzene, methane, methanol, ethanol, and toluene) onto silicene has been investigated using van der Waals density functional theory calculations (DFT-D). The calculated values of
Externí odkaz:
http://arxiv.org/abs/1409.5356