Showing 2014 · cond-mat.mtrl-sciShow all

9 papers · 2 filters

cond-mat.mtrl-sci2014★ 276 cited

Aqueous Proton Transfer Across Single Layer Graphene

Jennifer L. Achtyl, Raymond R. Unocic, Lijun Xu +12

Proton transfer across single layer graphene is associated with large computed energy barriers and is therefore thought to be unfavorable at room temperature unless nanoscale holes…

cond-mat.mtrl-sci2014★ 121 cited

Chemical potential dependent gap-opening at the Dirac surface states of Bi2Se3 induced by aggregated substitutional Cr atoms

Cui-Zu Chang, Peizhe Tang, Yi-Lin Wang +11

With angle-resolved photoemission spectroscopy, gap-opening is resolved at up to room temperature in the Dirac surface states of molecular beam epitaxy grown Cr-doped Bi2Se3 topolo…

cond-mat.mtrl-sci2014★ 10 cited

Rotomagnetic couplings influence on the magnetic properties of antiferrodistortive antiferromagnets

Eugene A. Eliseev, Maya D. Glinchuk, Venkatraman Gopalan +1

Within the framework of Landau-Ginzburg-Devonshire (LGD) phenomenological theory we consider the possibility to control properties of paraelectric antiferromagnets via biquadratic…

cond-mat.mtrl-sci2014

The affine and Euclidean normalizers of the subperiodic groups

Brian Kevin VanLeeuwen, Pedro Valentín De Jesús, Daniel B. Litvin +1

The affine and Euclidean normalizers of the subperiodic groups, the Frieze groups, the rod groups, and the layer groups, are derived and listed. For the layer groups, the special m…

cond-mat.mtrl-sci2014★ 30 cited

Electrically tunable multiple Dirac cones in thin films of (LaO)2(SbSe2)2 family of materials

Xiao-Yu Dong, Jian-Feng Wang, Rui-Xing Zhang +4

Two-dimensional Dirac physics has aroused great interests in condensed matter physics ever since the discovery of graphene and topological insulators due to its importance in both…

cond-mat.mtrl-sci2014★ 7 cited

On Consistent Definitions of Momentum and Energy Fluxes for Molecular Dynamics Models with Multi-body Interatomic Potentials

Xiaojie Wu, Xiantao Li

In this paper, we propose a two-level criteria to check the consistency of the definitions of continuum quantities in Molecular Dynamics. As examples, we follow the control- volume…

cond-mat.mtrl-sci2014★ 27 cited

Infrared electrodynamics and ferromagnetism in the topological semiconductors BiTe and Mn-doped BiTe

B. C. Chapler, K. W. Post, A. R. Richardella +4

We report on infrared (IR) optical experiments on BiTe and Mn-doped BiTe epitaxial thin films. In the latter film, dilute Mn doping (4.5\%) of the topologically non…

cond-mat.mtrl-sci2014★ 111 cited

Koopmans-compliant functionals and their performance against reference molecular data

Giovanni Borghi, Andrea Ferretti, Ngoc Linh Nguyen +2

Koopmans-compliant functionals emerge naturally from extending the constraint of piecewise linearity of the total energy as a function of the number of electrons to each fractional…

cond-mat.mtrl-sci2014★ 66 cited

Ferromagnetism and Spin-dependent Transport in n-type Mn-Bi2Te3 Thin Films

Joon Sue Lee, Anthony Richardella, David W. Rench +5

We describe a detailed study of the structural, magnetic, and magneto-transport properties of single-crystal, n-type, Mn-doped Bi2Te3 thin films grown by molecular beam epitaxy. Wi…