Electronic structures of antiperovskite superconductors: MgXNi3_3 (X=B,C,N)

We have investigated electronic structures of a newly discovered antiperovskite superconductor MgCNi$_3$ and related compounds MgBNi$_3$ and MgNNi$_3$. In MgCNi$_3$, a peak of very narrow and high density of states is located just below $\rm E_F$, which corresponds to the $\pi^*$ antibonding state of Ni-3d and C-$2p$ but with the predominant Ni-3d character. The prominent nesting feature is observed in the $\Gamma$-centered electron Fermi surface of an octahedron-cage-like shape that originates from the 19th band. The estimated superconducting parameters based on the simple rigid-ion approximation are in reasonable agreement with experiment, suggesting that the superconductivity in MgCNi$_3$ is described well by the conventional phonon mechanism.Comment: 5 pages, 5 figure

Electronic Structures of Antiperovskite Superconductor MgCNi3_3 and Related Compounds

Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states which are hybridized with C 2$p$ states. The DOS at $E_{\rm F}$ is varied substantially by the hole or electron doping due to the very high and narrow DOS peak located just below $E_{\rm F}$. We have also explored electronic structures of C-site and Mg-site doped MgCNi$_3$ systems, and described the superconductivity in terms of the conventional phonon mechanism.Comment: 3 pages, presented at ORBITAL2001 September 11-14, 2001 (Sendai, JAPAN

Nonlocal Entanglement of 1D Thermal States Induced by Fermion Exchange Statistics

When two identical fermions exchange their positions, their wave function gains phase factor $-1$. We show that this distance-independent effect can induce nonlocal entanglement in one-dimensional (1D) electron systems having Majorana fermions at the ends. It occurs in the system bulk and has nontrivial temperature dependence. In a system having a single Majorana at each end, the nonlocal entanglement has a Bell-state form at zero temperature and decays as temperature increases, vanishing suddenly at certain finite temperature. In a system having two Majoranas at each end, it is in a cluster-state form and its nonlocality is more noticeable at finite temperature. By contrast, thermal states of corresponding 1D spins do not have nonlocal entanglement

Analytic study of the urn model for separation of sand

We present an analytic study of the urn model for separation of sand recently introduced by Lipowski and Droz (Phys. Rev. E 65, 031307 (2002)). We solve analytically the master equation and the first-passage problem. The analytic results confirm the numerical results obtained by Lipowski and Droz. We find that the stationary probability distribution and the shortest one among the characteristic times are governed by the same free energy. We also analytically derive the form of the critical probability distribution on the critical line, which supports their results obtained by numerically calculating Binder cumulants (cond-mat/0201472).Comment: 6 pages including 3 figures, RevTe

Electronic structure of metallic antiperovskite compound GaCMn3_3

We have investigated electronic structures of antiperovskite GaCMn$_3$ and related Mn compounds SnCMn$_3$, ZnCMn$_3$, and ZnNMn$_3$. In the paramagnetic state of GaCMn$_3$, the Fermi surface nesting feature along the $\Gamma{\rm R}$ direction is observed, which induces the antiferromagnetic (AFM) spin ordering with the nesting vector {\bf Q} $\sim \Gamma{\rm R}$. Calculated susceptibilities confirm the nesting scenario for GaCMn$_3$ and also explain various magnetic structures of other antiperovskite compounds. Through the band folding effect, the AFM phase of GaCMn$_3$ is stabilized. Nearly equal densities of states at the Fermi level in the ferromagnetic and AFM phases of GaCMn$_3$ indicate that two phases are competing in the ground state.Comment: 4 pages, 5 figure

Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields

Contrary to the well known spin qubits, rare-earth qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground-state which nutates (for several $\mu$s) and the Rabi frequency $\Omega_R$ is anisotropic. Here, we present a study of the variations of $\Omega_R(\vec{H}_{0})$ with the magnitude and direction of the static magnetic field $\vec{H_{0}}$ for the odd $^{167}$Er isotope in a single crystal CaWO$_4$:Er$^{3+}$. The hyperfine interactions split the $\Omega_R(\vec{H}_{0})$ curve into eight different curves which are fitted numerically and described analytically. These "spin-orbit qubits" should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields

Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5

In Cerium-based heavy electron materials, the 4f electron's magnetic moments bind to the itinerant quasiparticles to form composite heavy quasiparticles at low temperature. The volume of the Fermi surfacein the Brillouin zone incorporates the moments to produce a "large FS" due to the Luttinger theorem. When the 4f electrons are localized free moments, a "small FS" is induced since it contains only broad bands of conduction spd electrons. We have addressed theoretically the evolution of the heavy fermion FS as a function of temperature, using a first principles dynamical mean-field theory (DMFT) approach combined with density functional theory (DFT+DMFT). We focus on the archetypical heavy electrons in CeIrIn5, which is believed to be near a quantum critical point. Upon cooling, both the quantum oscillation frequencies and cyclotron masses show logarithmic scaling behavior (~ ln(T_0/T)) with different characteristic temperatures T_0 = 130 and 50 K, respectively. The resistivity coherence peak observed at T ~ 50 K is the result of the competition between the binding of incoherent 4f electrons to the spd conduction electrons at Fermi level and the formation of coherent 4f electrons.Comment: 5 pages main article,3 figures for the main article, 2 page Supplementary information, 2 figures for the Supplementary information. Supplementary movie 1 and 2 are provided on the webpage(http://www-ph.postech.ac.kr/~win/supple.html