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Publications

Computationally efficient dielectric calculations of molecular crystals

Cornell Affiliated Author(s)
Author
K.A. Schwarz
R. Sundararaman
Tomas Arias
Abstract

The microscopic dielectric response is a key quantity for electronic materials such as organic semiconductors. Calculations of this response for molecular crystals are currently either expensive or rely on extreme simplifications such as multipole expansions which lack microscopic detail. We present an alternate approach using a microscopic analogue of the Clausius-Mossotti equation, which constructs the dielectric response of a crystal from an eigenvalue decomposition of the dielectric response of individual molecules.

Journal
Journal of Chemical Physics
Date Published
Group (Lab)
Tomas Arias Group

Ordered mesoporous titania from highly amphiphilic block copolymers: Tuned solution conditions enable highly ordered morphologies and ultra-large mesopores

Cornell Affiliated Author(s)
Author
M. Stefik
J. Song
H. Sai
S. Guldin
P. Boldrighini
M.C. Orilall
U. Steiner
Sol Gruner
U. Wiesner
Abstract

Crystalline transition metal oxides with controlled mesopore architectures are in increasing demand to enhance the performance of energy conversion and storage devices. Solution based block copolymer self-assembly routes to achieve ordered mesoporous and crystalline titania have been studied for more than a decade, but have so far mostly been limited to water and alcohol dispersible polymers. This constraint has limited the accessible morphology space as well as structural dimensions.

Journal
Journal of Materials Chemistry A
Date Published
Funding Source
DMR-13322086
1120296
1332208
1409105
Group (Lab)
Sol M. Gruner Group

Dynamic regulation of transcription factors by nucleosome remodeling

Cornell Affiliated Author(s)
Author
M. Li
A. Hada
P. Sen
L. Olufemi
M.A. Hall
B.Y. Smith
S. Forth
J.N. McKnight
A. Patel
G.D. Bowman
B. Bartholomew
M.D. Wang
Abstract

The chromatin landscape and promoter architecture are dominated by the interplay of nucleosome and transcription factor (TF) binding to crucial DNA sequence elements. However, it remains unclear whether nucleosomes mobilized by chromatin remodelers can influence TFs that are already present on the DNA template. In this study, we investigated the interplay between nucleosome remodeling, by either yeast ISW1a or SWI/SNF, and a bound TF. We found that a TF serves as a major barrier to ISW1a remodeling, and acts as a boundary for nucleosome repositioning.

Journal
eLife
Date Published
Research Area
Group (Lab)
Michelle Wang Group

Nodal bilayer-splitting controlled by spin-orbit interactions in underdoped high-T c cuprates

Cornell Affiliated Author(s)
Author
N. Harrison
B. Ramshaw
A. Shekhter
Abstract

The highest superconducting transition temperatures in the cuprates are achieved in bilayer and trilayer systems, highlighting the importance of interlayer interactions for high T c. It has been argued that interlayer hybridization vanishes along the nodal directions by way of a specific pattern of orbital overlap. Recent quantum oscillation measurements in bilayer cuprates have provided evidence for a residual bilayer-splitting at the nodes that is sufficiently small to enable magnetic breakdown tunneling at the nodes.

Journal
Scientific Reports
Date Published
Funding Source
LANLF100
Group (Lab)
Brad Ramshaw Group

Enhancement of the anti-damping spin torque efficacy of platinum by interface modification

Cornell Affiliated Author(s)
Author
Minh-Hai Nguyen
Kayla Nguyen
David Muller
D. Ralph
Robert Buhrman
Abstract

We report a strong enhancement of the efficacy of the spin Hall effect (SHE) of Pt for exerting anti-damping spin torque on an adjacent ferromagnetic layer by the insertion of ?0.5?nm layer of Hf between a Pt film and a thin, ≤2?nm, Fe60Co20B20 ferromagnetic layer. This enhancement is quantified by measurement of the switching current density when the ferromagnetic layer is the free electrode in a magnetic tunnel junction.

Journal
AIP Publishing
Date Published
Funding Source
0335765

Entanglement Entropy of the ν=1/2 Composite Fermion Non-Fermi Liquid State

Cornell Affiliated Author(s)
Author
J. Shao
Eun-Ah Kim
F.D.M. Haldane
E.H. Rezayi
Abstract

The so-called "non-Fermi liquid" behavior is very common in strongly correlated systems. However, its operational definition in terms of "what it is not" is a major obstacle for the theoretical understanding of this fascinating correlated state. Recently there has been much interest in entanglement entropy as a theoretical tool to study non-Fermi liquids. So far explicit calculations have been limited to models without direct experimental realizations.

Journal
Physical Review Letters
Date Published
Group (Lab)

Effect of surface states on terahertz emission from the Bi2Se3 surface

Cornell Affiliated Author(s)
Author
L.-G. Zhu
B. Kubera
Fai Mak
J. Shan
Abstract

Three-dimensional topological insulators are materials that behave as an insulator in the interior, but as a metal on the surface with Dirac surface states protected by the topological properties of the bulk wavefunctions. The newly discovered second surface state, located about 1.5eV above the conduction band in Bi2Se3 allows direct photoexcitation of the surface electrons in n-doped samples with a Ti:sapphire femtosecond laser. We have observed efficient THz generation from the Bi2Se3 basal plane upon femtosecond optical excitation.

Journal
Scientific Reports
Date Published
Funding Source
2012A0401016
1106225
61205100
Group (Lab)
Jie Shan Group
Kin Fai Mak Group

Charge-neutral disorder and polytypes in heterovalent wurtzite-based ternary semiconductors: The importance of the octet rule

Cornell Affiliated Author(s)
Author
P.C. Quayle
E.W. Blanton
A. Punya
G.T. Junno
K. He
L. Han
H. Zhao
J. Shan
W.R.L. Lambrecht
K. Kash
Abstract

We investigate lattice ordering phenomena for the heterovalent ternaries that are based on the wurtzite lattice, under the constraint that the octet rule be preserved. We show that, with the single exception of a highly symmetric twinned structure, all allowed lattice orderings can be described by a pseudospin model corresponding to the two different stackings of ABAB rows of atoms in the basal plane that occur in the Pna21 and Pmc21 crystal structures.

Journal
Physical Review B - Condensed Matter and Materials Physics
Date Published
Funding Source
1409346
Group (Lab)
Jie Shan Group

Manipulating the valley pseudospin in MoS2 transistors

Cornell Affiliated Author(s)
Author
K.F. Mak
Abstract

Monolayer MoS2 possess a new valley-pseudospin degree of freedom besides electronic charge and spin. In this talk I will talk about our recent results on optical generation of valley polarization, based on which a novel Hall effect associated with the new degree of freedom is demonstrated. The mechanisms responsible for driving the new valley Hall effect will be discussed. © OSA 2015.

Conference Name
Conference
Date Published
Group (Lab)
Kin Fai Mak Group