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New Hydrocarbon Superconductor on the Verge of Metal-Insulator Transition: Electronic Structures and Magnetic Properties of K3picene
New Hydrocarbon Superconductor Verge of Metal-Insulator Transition: Electronic Structures Magnetic Properties of K3picene
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2010/11/22
We have investigated the electronic structures and magnetic properties of of K3picene, which
is a first hydrocarbon superconductor with high transition temperature Tc=18K. We have shown
that the met...
Influence of tetragonal distortion on the magnetic and electronic properties of the Heusler compound Co2TiSn from first principles
Influence of tetragonal distortion magnetic and electronic properties first principles
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2010/11/22
Using the full potential linearized augmented plane wave plus local orbitals method we determine ab-initio the lattice parameters of tetragonally distorted Co2TiSn in the L21 structure. The tetragonal...
Electronic structure of an antiferromagnetic metal: CaCrO3
Electronic structure antiferromagnetic metal: CaCrO3
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2010/11/19
We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, corelevel,and Cr 2p − 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, ...
Local electronic structure of Fe$^{2+}$ impurities in MgO thin films: Temperature-dependent soft x-ray absorption spectroscopy study
Local electronic structure of Fe$^{2+}$ impurities Temperature-dependent soft x-ray absorption spectroscopy study
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2010/11/18
We report on the local electronic structure of Fe impurities in MgO thin films. Using soft x-ray absorption spectroscopy (XAS) we verified that the Fe impurities are all in the 2+ valence state.The fi...
Electronic Structure Studies of Detwinned BaFe$_2$As$_2$ by Photoemission
Electronic Structure Studies Photoemission
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2010/11/18
We performed angle resolved photoelectron spectroscopy (ARPES) studies on mechanically de-
twinned BaFe2As2. We observe clear band dispersions and the shapes and characters of the Fermi
surfaces are...
Quantum Mechanical Simulation of Electronic Transport in Nanostructured Devices by Efficient Self-consistent Pseudopotential Calculation
Quantum Mechanical Simulation of Electronic Transport Nanostructured Devices
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2010/11/17
We present a new empirical pseudopotential (EPM) calculation approach to simulate the million
atom nanostructured semiconductor devices under potential bias using the periodic boundary con-
ditions....
Electronic States and Superconducting Transition Temperature based on the Tomonaga-Luttinger liquid in Pr$_{2}$Ba$_{4}$Cu$_{7}$O$_{15-\delta}$
Pr2Ba4Cu7O15− first-principles calculations CuO double chain superconductivity
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2010/11/17
An NQR experiment revealed superconductivity of Pr2Ba4Cu7O15− (Pr247) to be realized
on CuO double chain layers and suggests possibility of novel one-dimensional(1D) superconduc-
tivity. To c...
Elastic and electronic properties of hexagonal rhenium sub-nitrides Re3N and Re2N in comparison with hcp-Re and wurtzite-like rhenium mononitride ReN
Elastic electronic properties Re2N in comparison
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2010/11/23
Very recently, two new hexagonal rhenium sub-nitrides Re3N and Re2N, which belong to a rather rare group of known metal-rich (M/N > 1) nitrides of heavy 4d,5d metals, have been successfully synthesize...
Electronic properties of new low-temperature superconductors: 3.3K (Ni2P2)(Sr4Sc2O6) and 2.7K (Ni2As2)(Sr4Sc2O6) from first principles
Superconducting (Ni2P2)(Sr4Sc2O6) (Ni2As2)(Sr4Sc2O6) structural electronic properties Fermi surface
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2010/11/25
Based on first-principle FLAPW-GGA calculations, we have investigated structural and electronic properties of the recently synthesized tetragonal (space group P4/nmm) nickel-based pnictide oxide super...
Hysteresis of Electronic Transport in Graphene Transistors
graphene transistor conductance hysteresis charge transfer capacitive gating water dipole
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2010/11/17
Graphene field effect transistors commonly comprise graphene flakes lying on SiO2 surfaces. The
gate-voltage dependent conductance shows hysteresis depending on the gate sweeping rate/range. It is sh...
Pairing Fluctuations Determine Low Energy Electronic Spectra in Cuprate Superconductors
Low Energy Electronic Spectra Cuprate Superconductors
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2010/11/24
High-temperature superconductivity in hole-doped cuprates, accompanied by a ‘pseudogap phase’ as well as other strange phenomena, con-tinues to be an outstanding question in condensed matter physics f...
Effect of oxygen plasma etching on graphene studied with Raman spectroscopy and electronic transport
Effect of oxygen plasma Raman spectroscopy electronic transport
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2010/11/17
We report a study of graphene and graphene field effect devices after exposure to a series of short pulses of oxygen plasma. We present data from Raman spectroscopy, back-gated field-effect and magnet...
Effect of p-d hybridization and structural distortion on the electronic properties of AgAlM2 (M = S, Se, Te) chalcopyrite semiconductors
A. Chalcopyrite A. Semiconductors E. Density Functional Theory E. TB-LMTO
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2010/11/18
We have carried out ab-initio calculation and study of structural and elec-tronic properties of AgAlM2 (M = S, Se, Te) chalcopyrite semiconductors using Density Functional Theory (DFT) based self cons...
General DFT++ method implemented with projector augmented waves: Electronic structure of SrVO$_3$ and the Mott Transition in Ca$_{2-x}$Sr$_{x}$RuO$_4$
General DFT++ method implemented projector augmented waves Mott Transition
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2010/11/24
The realistic description of correlated electron systems has taken an important step forward a few years ago as the combination of density functional methods and the dynamical mean-field theory was co...
Ab-Initio Electronic Properties of Rutile TiO2
Ab-Initio Electronic Properties Rutile TiO2
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2010/11/18
Self-consistent ab- initio electronic energy band structure of rutile TiO2 are reported within
the local density functional (LDF) formalism. Our first principle, non-relativistic and ground
state ca...