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Condensed Matter, Volume 7, Issue 2

June 2022 - 14 articles

Cover Story: Path-integral Monte Carlo (PIMC) simulations represent a powerful computational tool to simulate quantum matter. However, the existing implementations for bosonic systems are not fully compatible with periodic boundary conditions, which are necessary to efficiently simulate bulk properties. Here, we introduce a novel sampling algorithm which accounts exactly for periodic images, thus allowing one to bypass the efficiency bottleneck that affects previous implementations. Precise benchmarks against semi-analytical results are presented for ideal Bose gases, and an improved convergence to the thermodynamic limit is demonstrated for interacting systems. We believe that enhanced efficiency and accuracy will favor the adoption of PIMC algorithms to tackle novel problems in condensed-matter systems. View this paper
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Articles (14)

  • Article
  • Open Access
2,349 Views
8 Pages

A phonon of appropriate momentum kF will open a band gap at the Fermi energy EF. The gap within the electronic density-of-states (DOS), N(EF), leads to a gain in electronic energy and a loss of elastic energy because of the gap-generating phonon. A B...

  • Article
  • Open Access
2 Citations
2,883 Views
10 Pages

Properties of Composite Powder Based on Boron Nitride Prepared under Concentrated Light

  • Lina Sartinska,
  • Anatoliy Kasumov,
  • Alexander Koval and
  • Gennadiy Frolov

The results of direct synthesis of composite powder based on boron nitride (BN) are considered. Concentrated light heating of the initial boron powder was carried out in a xenon high-flux optical furnace in a nitrogen flow. Formation of particles of...

  • Article
  • Open Access
3 Citations
3,879 Views
8 Pages

The Chern gap is a unique topological feature that can host non-abelian particles. The Kagome lattice hosts Chern fermions. Upon the inclusion of magnetism, the Kagome system hosts a Chern gap at the K points in the lattice. In this work, the effect...

  • Article
  • Open Access
3 Citations
2,879 Views
14 Pages

Investigating the Morphology, Optical, and Thermal Properties of Multiphase-TiO2/MAPbI3 Heterogeneous Thin-Films for Solar Cell Applications

  • Thembinkosi D. Malevu,
  • Tshwafo E. Motaung,
  • Setumo V. Motloung,
  • Lehlohonolo F. Koao,
  • Teboho P. Mokoena and
  • Motlalepula R. Mhlongo

The present study evaluates the effect of mesoporous multiphase titanium dioxide (TiO2) nanoparticles (NPs) as an electron transporting layer and investigates the influence of phase composition on the perovskite solar cell (PSC) performances. This st...

  • Article
  • Open Access
13 Citations
3,708 Views
15 Pages

Artificial neural networks have been widely adopted as ansatzes to study classical and quantum systems. However, for some notably hard systems, such as those exhibiting glassiness and frustration, they have mainly achieved unsatisfactory results, des...

  • Article
  • Open Access
10 Citations
3,684 Views
11 Pages

Characterization of Some Physical and Photocatalytic Properties of CuO Nanofilms Synthesized by a Gentle Chemical Technique

  • Soumia Aroussi,
  • Mohamed Amine Dahamni,
  • Mostefa Ghamnia,
  • Didier Tonneau and
  • Carole Fauquet

Pure and Li-doped CuO nanofilms were synthesized on heated glass substrates using the spray-pyrolysis technique. The deposited pure CuO nanofilms were achieved at a precursor molarity of 0.2 M using a solution prepared from copper nitrate trihydrate...

  • Feature Paper
  • Article
  • Open Access
7 Citations
3,483 Views
21 Pages

We report a comprehensive theoretical investigation on phosphorus–boron mixed neutral, anionic, and cationic clusters P2Bn/P2Bn−/P2Bn+ (n = 3–7) with two phosphorus atoms and three to seven boron atoms. We reveal the common characte...

  • Article
  • Open Access
6 Citations
4,040 Views
8 Pages

We use first-principles calculations within the density functional theory (DFT) to explore the electronic properties of stage-1 Li- and Li+-graphite-intercalation compounds (GIC) for different concentrations of LiCx/Li+Cx, with x = 6, 12, 18, 24, 32...

  • Article
  • Open Access
2 Citations
4,093 Views
11 Pages

Estimation of the Grüneisen Parameter of High-Entropy Alloy-Type Functional Materials: The Cases of REO0.7F0.3BiS2 and MTe

  • Fysol Ibna Abbas,
  • Yuki Nakahira,
  • Aichi Yamashita,
  • Md. Riad Kasem,
  • Miku Yoshida,
  • Yosuke Goto,
  • Akira Miura,
  • Kensei Terashima,
  • Ryo Matsumoto and
  • Yoshihiko Takano
  • + 2 authors

In functional materials such as thermoelectric materials and superconductors, the interplay between functionality, electronic structure, and phonon characteristics is one of the key factors to improve functionality and to understand the underlying me...

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Condens. Matter - ISSN 2410-3896