Related papers: First-principles study of configurational disorder…
We construct fully backreacted charged black brane solutions with a spatially disordered chemical potential in asymptotically AdS$_3$ and AdS$_4$, providing holographic duals of strongly coupled disordered systems. At intermediate…
Boron nitride (BN) is a structurally versatile insulator since it can be found in several crystalline structures with interesting mechanical and electrical properties, making this material attractive for technological applications. Seeking…
The amorphous conducting carbon films have been prepared at three different preparation temperatures with different boron-doping levels. The structural and transport properties of the same have been studied. X-ray diffraction measurements…
We present C18O observations of the pre-stellar core L1689B, in the (J=3-2) and (J=2-1) rotational transitions, taken at the James Clerk Maxwell Telescope in Hawaii. We use a lambda-iteration radiative transfer code to model the data. We…
We investigate with a microscopic model anharmonic K-cation oscillation observed by neutron experiments in beta-pyrochlore superconductor KOs2O6, which also shows a mysterious first-order structural transition at Tp=7.5 K. We have…
We report measurements of the electrical resistivity and ac magnetic susceptibility of single crystalline LaPt$_2$Si$_2$ under pressure, in order to investigate the interplay of superconductivity and CDW order. LaPt$_2$Si$_2$ exhibits a…
Disorder is everywhere in nature and it has a fundamental impact on the behavior of many quantum systems. The presence of a small amount of disorder, in fact, can dramatically change the coherence and transport properties of a system.…
We analyze the effects of sp^2/sp^3 bond-aspect ratio on the transport properties of amorphous carbon quasi-1D structures where structural disorder varies in a very non-linear manner with the effective bandgap. Using a tight-binding…
For temperatures above $T^*=130$K C$_{60} \cdot$C$_8$H$_8$ forms a cubic crystal consisting of two interpenetrating fcc sublattices, one of freely rotating Buckys C$_{60}$ and the other of orientationally ordered cubane C$_8$H$_8$. The…
This letter predicts unprecedented order-to-disorder transition behaviors in multicomponent MXenes using an integrated and improved first-principles Monte Carlo (MC) framework. The improvements include (i) structural relaxation and (ii)…
We have investigated the trends in the formation of carbon vacancies in binary transition metal (TM) carbides using density functional calculations for two common TM carbide crystal structures, namely the B1 (rock-salt) and WC structure…
Diamond, a wide band-gap semiconductor, can be engineered to exhibit superconductivity when doped heavily with boron. The phenomena has been demonstrated in samples grown by chemical vapour deposition where the boron concentration exceeds…
Boron-doped diamond crystals (BDD, C$_{1-x}$B$_{x}$) exhibit exceptional mechanical strength, electronic tunability, and resistance to radiation damage. This makes them promising materials for use in gamma-ray crystal-based light sources.…
We experimentally study the effect of disorder on trapped quasi two-dimensional (2D) 87Rb clouds in the vicinity of the Berezinskii-Kosterlitz-Thouless (BKT) phase transition. The disorder correlation length is of the order of the Bose gas…
High-pressure superhydrides have attracted much attention due to their high superconducting critical temperatures ($T_\text{c}$s). Herein, density functional theory (DFT) calculations are used to study the structures and properties,…
This work presents an in-depth investigation of the properties of complexes composed of hydrogen, silicon or oxygen with carbon, which are major unintentional impurities in undoped GaN. This manuscript is a complement to our previous work…
The elastic properties of the $B_1$-structured transition-metal nitrides and their carbide counterparts are studied using the {\it ab initio\} density functional perturbation theory. The linear response results of elastic constants are in…
In four classes of materials, the layered copper-oxides, organics, iron-pnictides and heavy-fermion compounds, an unconventional superconducting state emerges as a magnetic transition is tuned toward absolute zero temperature, that is,…
We observe a disappearance of the 1/3 magnetization plateau and a striking change of the magnetic configuration under a moderate doping of the model triangular antiferromagnet RbFe(MoO4)2. The reason is an effective lifting of degeneracy of…
First-principles, density-functional based electronic structure calculations are carried out for MgC(Ni_{1-x}Co_{x})_{3} alloys over the concentration range 0\leq x\leq1, using Korringa-Kohn-Rostoker coherent-potential approximation (KKR…