相关论文: d0 Perovskite-Semiconductor Electronic Structure
Materials with low work functions are critical for an array of applications requiring the facile removal or efficient transport of electrons through a device. Perovskite oxides are a promising class of materials for finding low work…
The weak-coupling quantum phase diagrams of the one-dimensional (1D) Holstein-Hubbard and Peierls-Hubbard models are computed near half-filling, using a multi-step renormalization group technique. If strong enough, the electron-phonon…
High purity polycrystalline Na0.5La0.5RuO3 was synthesized by a solid state method, and its properties were studied by magnetic susceptibility, heat capacity and resistivity measurements. We find it to be a tetragonal perovskite, in…
The model developed for LaMnO$_3$ addresses the spin-orbital order by superexchange and Jahn-Teller orbital interactions in the cubic (perovskite) symmetry up to now whereas real crystal structure is strongly deformed. We identify and…
Precisely knowing an interaction Hamiltonian is crucial to realize quantum information tasks, especially to experimentally demonstrate a quantum computer and a quantum memory. We propose a scheme to experimentally evaluate the spin-spin…
Perovskite-based optoelectronic devices have shown great promise for solar conversion and other optoelectronic applications, but their long-term performance instability is regarded as a major obstacle to their widespread deployment.…
We have prepared polycrystalline samples of (Sr$_{1-x}$La$_x$)$_2$ErRuO$_6$ and (Sr$_{1-x}$La$_x$)$_2$YRuO$_6$, and have measured the resistivity, Seebeck coefficient, thermal conductivity, susceptibility and x-ray absorption in order to…
An effective electronic Hamiltonian for transition metal oxide compounds is presented. For Mn-oxides, the Hamiltonian contains spin-2 ``spins'' and spin-3/2 ``holes'' as degrees of freedom. The model is constructed from the Kondo-lattice…
In this work, we address the question of calculating the local effective Coulomb interaction matrix in materials with strong electronic Coulomb interactions from first principles. To this purpose, we implement the constrained random phase…
We systematically derive low-energy effective Hamiltonians for molecular solids $\beta^\prime$-$X$[Pd(dmit)$_{2}$]$_{2}$ ($X$ represents a cation) using ab initio density functional theory calculations and clarify how the cation controls…
Halide perovskites have emerged as one of the most interesting materials for optoelectronic applications due to their favorable properties, such as defect-tolerance and long charge carrier lifetimes, which are attributed to their dynamic…
We develop an effective theory for heavy baryons and their excited states. The approach is based on the contracted O(8) symmetry recently shown to emerge from QCD for these states in the combined large N_c and heavy quark limits. The…
Motivated by recent work on Heisenberg antiferromagnetic spin systems on various lattices made up of triangles, we examine the low-energy properties of a chain of antiferromagnetically coupled triangles of half-odd-integer spins. We derive…
The spectral properties of $su(2)$ Hamiltonians are studied for energies near the critical classical energy $\epsilon_c$ for which the corresponding classical dynamics presents hyperbolic points (HP). A general method leading to an…
At optimal doping, different cuprate compounds can exhibit vastly different critical temperatures for superconductivity ($T_c$), ranging from about 20 K to about 135 K. The precise properties of the lattice that determine the magnitude of…
Low-temperature electron paramagnetic resonance measurements are performed on single crystals of LiY_{1-x}Gd_xF_4 with weak x=0.005 and moderate x=0.05 concentration of Gd ions. Modeling of the experimental spectra allows us to precisely…
We employ reactive molecular-beam epitaxy to synthesize the metastable perovskite SrIrO$_{3}$ and utilize {\it in situ} angle-resolved photoemission to reveal its electronic structure as an exotic narrow-band semimetal. We discover…
We review the latest calculations of the next-to-leading $\DSone$ effective Hamiltonian, relevant for $K\to \pi\pi$ transitions. Numerical results for the Wilson coefficients are given for different regularization schemes. Predictions of…
Temperature dependent electrical resistivity, crystal structure and heat capacity measurements reveal a resistivity drop and metal to semiconductor transition corresponding to first order structural phase transition near 400 K in Ca3Co4O9.…
We report on the magnetic, resistive, and structural studies of perovskite La$_{1/3}$Sr$_{2/3}$CoO$_{3-\delta}$. By using the relation of synthesis temperature and oxygen partial pressure to oxygen stoichiometry obtained from…