arXiv subjects

Abhishek K. Singh

Publications and source records attributed to Abhishek K. Singh.

32 records · Page 2Linked to original sources

arXiv2014

Semiconductor to metal transition in bilayer phosphorene under normal compressive strain

Phosphorene, a two-dimensional (2D) analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far, tunability has been predicted to be obtained with very high compressive/tensile in-plane strains, and vertical electric field, which are difficult to achieve experimentally. Here, we show using density functional theory based calculations the possibility of tuning electronic properties by applying normal compressive strain in bilayer phosphorene. A complete and fully reversible semiconductor to metal transition has been observed at $\sim13.35\%$ strain, which can be easily realized experimentally. Furthermore, a direct to indirect bandgap transition has also been observed at $\sim3\%$ strain, which is a signature of unique band-gap modulation pattern in this material. The absence of negative frequencies in phonon spectra as a function of strain demonstrates the structural integrity of the sheets at relatively higher strain range. The carrier mobilities and effective masses also do not change significantly as a function of strain, keeping the transport properties nearly unchanged. This inherent ease of tunability of electronic properties without affecting the excellent transport properties of phosphorene sheets is expected to pave way for further fundamental research leading to phosphorene-based multi-physics devices.

cond-mat.mtrl-sci↗

arXiv2014

Strain-induced electronic phase transition and strong enhancement of thermopower of TiS2

Using first principles density functional theory calculations, we show a semimetal to semiconducting electronic phase transition for bulk TiS 2 by applying uniform biaxial tensile strain. This electronic phase transition is triggered by charge transfer from Ti to S, which eventually reduces the overlap between Ti-(d) and S-(p) orbitals. The electronic transport calculations show a large anisotropy in electrical conductivity and thermopower, which is due to the difference in the effective masses along the in-plane and out of plane directions. Strain induced opening of band gap together with changes in dispersion of bands lead to three-fold enhancement in thermopower for both p- and n-type TiS2 . We further demonstrate that the uniform tensile strain, which enhances the thermoelectric performance, can be achieved by doping TiS2 with larger iso-electronic elements such as Zr or Hf at Ti sites.

cond-mat.mtrl-sci↗

arXiv2014

Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS$_{2}$

The sensitive dependence of electronic and thermoelectric properties of MoS$_2$ on the applied strain opens up a variety of applications in the emerging area of straintronics. Using first principles based density functional theory calculations, we show that the band gap of few layers of MoS$_2$ can be tuned by applying i) normal compressive (NC), ii) biaxial compressive (BC), and iii) biaxial tensile (BT) strain. A reversible semiconductor to metal transition (S-M transition) is observed under all three types of strain. In the case of NC strain, the threshold strain at which S-M transition occurs increases with increasing number of layers and becomes maximum for the bulk. On the other hand, the threshold strain for S-M transition in both BC and BT strain decreases with the increase in number of layers. The difference in the mechanisms for the S-M transition is explained for different types of applied strain. Furthermore, the effect of strain type and number of layers on the transport properties are also studied using Botzmann transport theory. We optimize the transport properties as a function of number of layers and applied strain. 3L- and 2L-MoS$_2$ emerge as the most efficient thermoelectric material under NC and BT strain, respectively. The calculated thermopower is large and comparable to some of the best thermoelectric materials. A comparison between the feasibility of these three types of strain is also discussed.

cond-mat.mtrl-sci↗

arXiv2014

Quintessence and effective AdS brane geometries

A geometric torsion dynamics leading to an effective curvature in a second order formalism on a D4-brane is revisited with a renewed interest. We obtain two effective $AdS_4$ brane geometries on a vacuum created pair of $(D{\bar D})_3$-brane. One of them is shown to describe an AdS Schwarzschild spinning black hole and the other is shown to describe a spinning black hole bound state. It is argued that a D-instanton in a vacuum created anti D3-brane within a pair may describe a quintessence. It may seen to incorporate a varying vacuum energy density in a brane universe. We consider the effective curvature scalar on $S^1\times S^1$ to analyze torsion-less geometries on a vacuum created pair of $(D{\bar D})_2$-brane. The emergent $AdS_3$ brane is shown to describe a Schwarzschild and a Reissner-Nordstrom (RN) geometries in presence of extra dimension(s).

hep-th↗

arXiv2014

Quantum Kerr(Newman) degenerate stringy vacua in 4D on a non-BPS brane

We investigate some of the quantum gravity effects on a vacuum created pair of $(D{\bar D})_3$-brane by a non-linear $U(1)$ gauge theory on a $D_4$-brane. In particular we obtain a four dimensional quantum Kerr(Newman) black hole in an effective torsion curvature formalism sourced by a two form dynamics in the world-volume of a $D_4$-brane on $S^1$. Interestingly the event horizon is found to be independent of a non-linear electric charge and the $4D$ quantum black hole is shown to describe a degenerate vacua in string theory. We show that the quantum Kerr brane universe possesses its origin in a de Sitter vacuum. In a nearly $S_2$-symmetric limit the Kerr geometries may seen to describe a Schwarzschild and Reissner-Nordstrom quantum black holes. It is argued that a quantum Reissner-Nordstrom tunnels to a large class of degenerate Schwazschild vacua. In a low energy limit the non-linear electric charge becomes significant at the expense of the degeneracies. In the limit the quantum geometries may identify with the semi-classical black holes established in Einstein gravity. Analysis reveals that a quantum geometry on a vacuum created $D_3$-brane universe may be described by a low energy perturbative string vacuum in presence of a non-perturbative quantum correction.

hep-th↗

arXiv2014

Quintessence and effective RN de Sitter brane geometries

We revisit an effective space-time torsion curvature in a second order formalism, underlying the non-linear $U(1)$ gauge dynamics, of a two form on a $D_4$-brane in type IIA superstring theory. The formalism incorporates the significance of a global NS two form into the theory via its perturbative coupling to a dynamical two form. In particular, we explore the non-linear gauge dynamics on a $D_4$-brane in presence of a non-trivial background metric. The fact that the global modes of a NS two form in an open string theory sources the background metric on a $D_4$-brane may hint at the existence of an anti $D_4$-brane in the formalism. An effective de Sitter universe is shown to emerge on a vacuum created pair of $(D{\bar D})_3$-brane by a local two form at the past horizon with a Big Bang. We obtain a number of 4D de Sitter quantum black holes, including a Reissner-Nordstrom vacuum, with and without a propagating torsion. The quantum black holes are shown to be free from curvature singularity at $r\rightarrow 0$. In a low energy limit, the nonperturbative correction sourced by a torison may seen to be insignificant. The quantum black hole undergoes an expansion in the limit and presumably identifies with the Einstein vacuum. Interestingly our analysis reveals a plausible quintessence (axion) on an anti $D_3$-brane which may source the dark energy in a $D_3$-brane universe. Arguably a brane universe moves away from its anti-brane due to the conjectured repulsive gravity underlying the quintessence. It leads to a growth in extra fifth dimension between a brane and an anti-brane which may provide a clue behind an accelerating universe observed in cosmology.

hep-th↗

arXiv2013

Quantum Kerr tunneling vacua on a $(D{\bar D})_4$-brane: An emergent Kerr black hole in five dimensions

We revisit a non-perturbative space-time curvature theory, underlying a two form U(1) gauge dynamics, on a D4-brane. In particular, two different gauge choices for a two form are explored underlying the dynamics of a geometric torsion in a second order formalism. We obtain two non-extremal quantum Kerr geometries in five dimensions on a pair of $(D{\bar D})_4$-brane in a type IIA superstring theory. The quantum vacua are described by a vanishing torsion in a gauge choice, underlying a geometric realization, on a non-BPS brane. It is argued that the quantum Kerr vacua undergo tunneling and lead to a five dimensional Kerr black hole in Einstein vacuum. A low energy limit in the quantum Kerr vacua further re-assures an emergent Kerr black hole.

hep-th↗

arXiv2013

Thermoelectric properties of $β$-FeSi$_{\text2}$

We investigate the thermoelectric properties of $β$-FeSi$_{\text2}$ using first principles electronic structure and Boltzmann transport calculations. We report a high thermopower for both \textit{p}- and \textit{n}-type $β$-FeSi$_{\text2}$ over a wide range of carrier concentration and in addition find the performance for \textit{n}-type to be higher than for the \textit{p}-type. Our results indicate that, depending upon temperature, a doping level of 3$\times10{^{20}}$ - 2$\times10{^{21}}$ cm${^{-3}}$ may optimize the thermoelectric performance.

cond-mat.mtrl-sci↗

arXiv2013

Emergent Schwarzschild and Reissner-Nordstrom black holes in 4D: An effective curvature sourced by a B2-field on a D4-brane

We obtain a Schwarzschild and a Reissner-Nordstrom emergent black holes, by exploring the torsion dynamics in a generalized curvature formulation, underlying an effective D4-brane on S1. It is shown that a constant effective metric, sourced by a background fluctuation in B2-potential, on a D3-brane receives a dynamical quantum correction in presence of an electric charge.

hep-th↗

arXiv2013

Discrete torsion, de Sitter tunneling vacua and AdS brane: U(1) gauge theory on D4-brane and an effective curvature

The U(1) gauge dynamics on a D4-brane is revisited, with a two form, to construct an effective curvature theory in a second order formalism. We exploit the local degrees in a two form, and modify its dynamics in a gauge invariant way, to incorporate a non-perturbative metric fluctuation in an effective D4-brane. Interestingly, the near horizon D4-brane is shown to describe an asymptotic Anti de Sitter (AdS) in a semi-classical regime. Using Weyl scaling(s), we obtain the emergent rotating geometries leading to primordial de Sitter (dS) and AdS vacua in a quantum regime. Under a discrete transformation, we re-arrange the mixed dS patches to describe a Schwazschild-like dS (SdS) and a topological-like dS (TdS) black holes. We analyze SdS vacuum for Hawking radiations to arrive at Nariai geometry, where a discrete torsion forms a condensate. We perform thermal analysis to identify Nariai vacuum with a TdS. Investigation reveals an AdS patch within a thermal dS brane, which may provide a clue to unfold dS/CFT. In addition, the role of dark energy, sourced by a discrete torsion, in the dS vacua is investigated using Painleve geometries. It is argued that a D-instanton pair is created by a discrete torsion, with a Big Bang/Crunch, at the past horizon in a pure dS. Nucleation, of brane/anti-brane pair(s), is qualitatively analyzed to construct an effective space-time on a D4-brane and its anti brane. Analysis re-assures the significant role played by a non-zero mode, of NS-NS two form, to generalize the notion of branes within a brane.

hep-th↗

arXiv2012

Semiconductor-metal transition in semiconducting bilayer sheets of transition metal dichalcogenides

Using first-principles calculations we show that the band gap of bilayer sheets of semiconducting transition metal dichalcogenides (TMDs) can be reduced smoothly by applying vertical compressive pressure. These materials undergo a universal reversible semiconductor to metal (S-M) transition at a critical pressure. S-M transition is attributed to lifting the degeneracy of the bands at fermi level caused by inter-layer interactions via charge transfer from metal to chalcogens. The S-M transition can be reproduced even after incorporating the band gap corrections using hybrid functionals and GW method. The ability to tune the band gap of TMDs in a controlled fashion over a wide range of energy, opens-up possibility for its usage in a range of applications.

cond-mat.mtrl-sci↗

arXiv2011

Patterning Nanoroads and Quantum Dots on Fluorinated Graphene

Using ab initio methods we have investigated the fluorination of graphene and find that different stoichiometric phases can be formed without a nucleation barrier, with the complete "2D-Teflon" CF phase being thermodynamically most stable. The fluorinated graphene is an insulator and turns out to be a perfect matrix-host for patterning nanoroads and quantum dots of pristine graphene. The electronic and magnetic properties of the nanoroads can be tuned by varying the edge orientation and width. The energy gaps between the highest occupied and lowest unoccupied molecular orbitals (HOMO-LUMO) of quantum dots are size-dependent and show a confinement typical of Dirac fermions. Furthermore, we study the effect of different basic coverage of F on graphene (with stoichiometries CF and C$_{4}$F) on the band gaps, and show the suitability of these materials to host quantum dots of graphene with unique electronic properties.

cond-mat.mtrl-sci↗

arXiv2010

Emergent gravity/Non-linear U(1) gauge theory correspondence

Kaluza-Klein gravity is revisted, with renewed interest, in a type IIB string theory on $S^1\times K3$. The irreducible curvature tensors are worked out in the, T-dual, emergent gravity in 4D to yield a non-linear U(1) gauge theory. Interestingly, the T-duality may be seen to describe an open/closed string duality at a self-dual string coupling. The obtained deformation in $AdS_5$ black hole is analyzed to introduce the notion of temperature in the emergent gravity underlying the recent idea of entropic force.

hep-th↗

arXiv2010

Gravity dual D3-braneworld and Open/Closed string duality

A covariantly constant dynamical two-form is exploited on a $D_3$-brane to obtain its gravity dual action, governing an $S^3$ deformed $AdS_5$ black hole, in a type IIB string theory on $S^1\times K3$. We invoke the Kaluza-Klein compactification to work out the open/closed string duality. Interestingly, the Reissner-Nordstrom black hole is obtained on the "non-Reimannian" braneworld.

hep-th↗