Tentative Structural Features of a Gapped RVB State in the Anisotropic Triangular Lattice

The self-consistency equations for the independent order parameters as well as the free energy expression for the mean-field RVB model of the spin-1/2 Heisenberg Hamiltonian on the anisotropic triangular lattice is considered in the quasi-one-dimensional approximation. The solutions of the self-consistency equations in the zero-temperature limit are in fair agreement with the previous numerical analysis of the same model by other authors. In particular, the transition from the ungapped 1D-RVB state to the gapped 2D-RVB state occurs at an arbitrarily weak transversal exchange ($J_{2}\rightarrow0)$ although the amount of the gap is exponentially small: $\frac{12J_{1}}{\pi}\exp(-\frac{2J_{1}}{J_{2}})$, where $J_{1}$ is the longitudinal exchange parameter. The structural consequences of the formation of the 2D-RVB state are formulated by extending the famous bond order \emph{vs}. bond length relation known for polyenes (one-dimensional Hubbard chains). Analytical estimates of this effect are given.Comment: 14 pages, 2 figure

Making Good Lawyers

Today, the criticism of law schools has become an industry. Detractors argue that legal education fails to effectively prepare students for the practice of law, that it is too theoretical and detached from the profession, that it dehumanizes and alienates students, too expensive and inapt in helping students develop a sense of professional identity, professional values, and professionalism. In this sea of criticisms it is hard to see the forest from the trees. “There is so much wrong with legal education today,” writes one commentator, “that it is hard to know where to begin.” This article argues that any reform agenda will fall short if it does not start by recognizing the dominant influence of the culture of autonomous self-interest in legal education. Law schools engage in a project of professional formation and instill a very particular brand of professional identity. They educate students to become autonomously self-interested lawyers who see their clients and themselves as pursuing self-interest as atomistic actors. As a result, they understand that their primary role is to serve as neutral partisans who promote the narrow self-interest of clients without regard to the interests of their families, neighbors, colleagues, or communities and to the exclusion of counseling clients on the implications of those interests. They view as marginal their roles as an officer of the legal system and as a public citizen and accordingly place a low priority on traditional professional values, such as the commitment to the public good, that conflict with their primary allegiance to autonomous self-interest. In this work of professional formation, law schools are reflecting the values and commitments of the autonomously self-interested culture that is dominant in the legal profession. Therefore, even if law schools sought to form a professional identity outside of the mold of autonomous self-interest, such a commitment would require much more than curricular reform. It would, at minimum, require the construction of a persuasive alternative understanding of the lawyer’s role. The article seeks to offer such an understanding grounded in a relational perspective on lawyers and clients. Part I offers workable definitions of professionalism and professional identity that enable an informed discussion of the formation of professional identity in and by law schools. Part II explores what and how legal education teaches students showing that both institutionally (at the law school level) and individually (at the law professor level) legal education is proactively engaged in the formation of a professional identity of autonomous self-interest. Part II further explains that its dominance in legal education notwithstanding, autonomous self-interest is but one, often unpersuasive, account of professionalism and professional identity. Part III turns to the competing vision of relationally self-interested professionalism and professional identity and develops an outline for legal education grounded in these conceptions. Because legal education reflects a deep commitment to the dominant culture of autonomous self-interest, it is unlikely that reform proposals that are inconsistent with that culture are likely to succeed in the near future. Yet proposing an alternative account of professional identity that exposes the assumptions of the dominant culture, explains their limitations, and develops a more persuasive understanding is a necessary step toward providing a workable framework for reformers committed to promoting professional values in the long term

Unconventional Magnetism in a Nitrogen-Based Analogue of Cupric Oxide

We have investigated the magnetic properties of CuNCN, the first nitrogen-based analogue of cupric oxide, CuO. Our muon spin relaxation, nuclear magnetic resonance and electron spin resonance studies reveal that classical magnetic ordering is absent down to lowest temperatures. However, large enhancement of spin correlations and unexpected inhomogeneous magnetism have been observed below 80 K. We attribute this to a peculiar fragility of the electronic state against weak perturbations due to geometrical frustration, which selects between competing spin-liquid and more conventional frozen states.Comment: 4 pages + 1 page of supplementary information, accepted for publication in PR

Mean-field RVB ground states of lattice models of CuNCN

Recently we proposed to describe the fascinating physics of copper carbodiimide, CuNCN, with help of the anisotropic trangular antiferromagnetic Heisenberg model with the parameters Ja and Jab extending along the a, and a ± b lattice directions and a new frustrated Heisenberg antiferromagnetic model with exchange parameters Jc, Ja, and Jac, extending along the c, a, and a ± c (c-a-ca model) directions assuming the resonating valence bond (RVB) type of the corresponding phases. Here we discuss possible RVB ground states of these models in the mean-field approximation and show that in either case it is a two-dimensional RVB state. The difference between the models is that in the ground state of the triangular model the quasiparticle spectrum features a finite (although exponentially small) energy gap for arbitrary weak Jab whereas that of the c-a-ca model shows two pseudogaps and a linear dependence of the quasiparticle density of states in the low-energy range

Electronic structure and magnetism in doped semiconducting half-Heusler compounds

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional method in the framework of tight-binding linearized muffin tin orbital method(TB-LMTO) and supercell approach. Our calculations indicate that some of these compounds are not only ferromagnetic but also half-metallic and may be useful for spintronics applications. The electronic structure of the doped systems is analyzed with the aid of a simple model where we have considered the interaction between the dopant transition metal (M) and the valence band X-Z hybrid. We have shown that the strong X-d - M-d interaction places the M-d states close to the Fermi level with the M-t$_{2g}$ states lying higher in energy in comparison to the M-e$_{g}$ states. Depending on the number of available d-electrons, ferromagnetism is realized provided the d-manifold is partially occupied. The tendencies toward ferromagnetic(FM) or antiferromagnetic(AFM) behavior are discussed within Anderson-Hasegawa models of super-exchange and double-exchange. In our calculations for Mn doped NiTiSn, the strong preference for FM over AFM ordering suggests a possible high Curie temperature for these systems.Comment: 14 pages, 6 figure

Lattice thermal expansion and anisotropic displacements in {\alpha}-sulfur from diffraction experiments and first-principles theory

Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are routinely used in physics, chemistry, and crystallography to quantify the thermal motion of atoms in crystals. ADPs are commonly derived from diffraction experiments, but recent developments have also enabled their first-principles prediction using periodic density functional theory (DFT). Here, we combine experiments and dispersion-corrected DFT to quantify lattice thermal expansion and ADPs in crystalline {\alpha}-sulfur (S8), a prototypical elemental solid that is controlled by the interplay of covalent and van der Waals interactions. We first report on single-crystal and powder X-ray diffraction (XRD) measurements that provide new and improved reference data from 10 K up to room temperature. We then use several popular dispersion-corrected DFT methods to predict vibrational and thermal properties of {\alpha}-sulfur, including the anisotropic lattice thermal expansion. Hereafter, ADPs are derived in the commonly used harmonic approximation (in the computed zero-Kelvin structure) and also in the quasi-harmonic approximation (QHA) which takes the predicted lattice thermal expansion into account. At the PBE+D3(BJ) level, the latter leads to excellent agreement with experiments. Finally, more general implications of this study for realistic materials modeling at finite temperature are discussed

Electronic structure and magnetism of equiatomic FeN

In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations are calculated using the first-principles TB-LMTO-ASA method. Among all the FeN phases considered, the antiferromagnetic NaCl structure with q=(00pi) is found to have the lowest energy at the theoretical equilibrium volume. However, the FM NaCl phase lies only 1mRyd higher. The estimated equilibrium lattice constant for nonmagnetic ZnS-type FeN agrees quite well with the experimental value, but for the AFM NaCl phase the estimated value is 6.7% smaller than that observed experimentally. For ZnS-type FeN, metastable magnetic states are found for volumes larger than the equilibrium value. On the basis of an analysis of the atom- and orbital-projected density of states and orbital-projected Crystal Orbital Hamilton Population, the iron-nitrogen interactions in NM ZnS, AFM NaCl and FM CsCl structures are discussed. The leading Fe-N interactions is due to the d-p iron-nitrogen hybridization, while considerable s-p and p-p hybridizations are also observed in all three phases. The iron magnetic moment in FeN is found to be highly sensitive to the nearest-neighboring Fe-N distance. In particular, the magnetic moment shows an abrupt drop from a value of about 2 muB to zero with the reduction of the Fe-N distance for the ZnS and CsCl structures.Comment: 12 pages, 6 figure

An Experimental and Theoretical Study of the Variation of 4f Hybridization Across the La1-xCexIn3 Series

Crystal structures of a series of La1-xCexIn3 (x = 0.02, 0.2, 0.5, or 0.8) intermetallic compounds have been investigated by both neutron and X-ray diffraction, and their physical properties have been characterized by magnetic susceptibility and specific heat measurements. Our results emphasize atypical atomic displacement parameters (ADP) for the In and the rare-earth sites. Depending on the x value, the In ADP presents either an "ellipsoidal" elongation (La-rich compounds) or a "butterfly-like" distortion (Ce-rich compounds). These deformations have been understood by theoretical techniques based on the band theory and are the result of hybridization between conduction electrons and 4f-electrons.Comment: 7 pages, 8 figure