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We employ the numerical linked-cluster expansion to study finite-temperature properties of the uniform cubic lattice Hubbard model in the thermodynamic limit for a wide range of interaction strengths and densities. We carry out the…

Strongly Correlated Electrons · Physics 2016-09-13 Ehsan Khatami

The prototypical phase change material GeTe shows an enigmatic phase transition at Tc ca. 650 K from rhombohedral (R3m) to cubic (Fm-3m) symmetry. While local probes see little change in bonding, in contrast, average structure probes imply…

Materials Science · Physics 2015-07-01 Jessica M. Hudspeth , Tapan Chatterji , Simon J. L. Billinge , Simon A. J. Kimber

We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong…

Materials Science · Physics 2015-06-05 Vanessa E. Fairbank , Amber L. Thompson , Richard I. Cooper , Andrew L. Goodwin

We have investigated magnetoelastic effects in multiferroic HoMnO$_3$ below the antiferromagnetic phase transition $T_N \approx 75$ K by neutron powder diffraction. The lattice parameter $a$ of the hexagonal unit cell of HoMnO$_3$ decrease…

Strongly Correlated Electrons · Physics 2014-01-08 Tapan Chatterji , Thomas Hansen , Simon A. J. Kimber , Dipten Bhattacharya

Phonon properties and the lattice thermal conductivity are not generally understood to be sensitive to magnetic fields. Using an applied field to change MnBi2Te4 between antiferromagnetic (AFM), canted (CAFM) and ferromagnetic (FM) phases…

Ca2RuO4 undergoes a metal-insulator transition at TMI = 357 K, followed by a well-separated transition to antiferromagnetic order at TN = 110 K. Dilute Cr doping for Ru reduces the temperature of the orthorhombic distortion at TMI and…

Strongly Correlated Electrons · Physics 2010-10-01 T. F. Qi , O. B. Korneta , S. Parkin , L. E. De Long , P. Schlottmann , G. Cao

We describe a web-based tool (PASCal; Principal Axis Strain Calculator) aimed at simplifying the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice…

Materials Science · Physics 2012-11-20 Matthew J. Cliffe , Andrew L. Goodwin

Analytical relations for the glass transition temperature, $T_g$, and the crystal melting temperature, $T_m$, are developed on the basis of nonaffine lattice dynamics. The proposed relations explain: (i) the seemingly universal factor of…

Soft Condensed Matter · Physics 2025-03-18 Alessio Zaccone , Konrad Samwer

Origin and composition dependence of the anisotropic thermomechanical properties are elucidated for Ba1-xSrxZn2Si2O7 (BZS) solid solutions. The high-temperature phase of BZS shows negative thermal expansion (NTE) along one crystallographic…

The negative thermal expansion (NTE) materials, which can act as thermal-expansion compensators to counteract the positive thermal expansion, have great applications merit in precision engineering. However, the exploration of NTE behavior…

High-resolution thermal-expansion and specific-heat measurements were performed on single crystalline BaFe2(As1-xPx)2 (0 < x < 0.33, x = 1). The observation of clear anomalies allows to establish the thermodynamic phase diagram which…

Heat conduction through the Frenkel-Kontorova (FK) lattices is numerically investigated in the presence of a deformable substrate potential. It is found that the deformation of the substrate potential has a strong influence on heat…

Statistical Mechanics · Physics 2011-02-02 Bao-quan Ai , Bambi Hu

We investigate the behavior of the resistivity around valence transition in the one-dimensional extended periodic Anderson model (PAM) with the Coulomb repulsion between f and conduction electron U_fc. By using 1/N-expansion in the leading…

Strongly Correlated Electrons · Physics 2007-05-23 Yasutaka Nishida , Tomokazu Ookubo

We discovered unique uniaxial negative thermal expansion (NTE) behavior for a weak-itinerant-ferromagnetic phase of CoZr$_{2}$H$_{3.49}$. CoZr$_{2}$ is known as a superconductor exhibiting uniaxial NTE along the $c$-axis, which is called…

Materials Science · Physics 2025-09-26 Yuto Watanabe , Kota Suzuki , Takayoshi Katase , Akira Miura , Aichi Yamashita , Yoshikazu Mizuguchi

This study explores the relationship between phonon dynamics and negative thermal expansion (NTE) in Cu$_x$Ni$_{2-x}$(CN)$_4$. The partial replacement of nickel (II) by copper (II) in Ni(CN)$_2$ leads to a line phase, CuNi(CN)$_4$ (x = 1),…

Materials Science · Physics 2019-10-02 Stella d'Ambrumenil , Mohamed Zbiri , Ann Chippindale , Simon Hibble

Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative ({\alpha}V = -51 x…

Materials Science · Physics 2015-05-20 R Mittal , M. Zbiri , H. Schober , E Marelli , S. J. Hibble , A. M. Chippindale , S. L Chaplot

Rubber compounds for pressure sealing application typically have inferior dimensional stability with temperature fluctuations compared with their steel counterparts. This effect may result in seal leakage failures when subjected to…

Materials Science · Physics 2017-10-17 Anton G. Akulichev , Ben Alcock , Avinash Tiwari , Andreas T. Echtermeyer

The thermal expansion effect of silicon nanowires (SiNW) in [100], [110] and [111] directions with different sizes is theoretically investigated. At low temperatures, all SiNW studied exhibit thermal contraction effect due to the lowest…

Materials Science · Physics 2015-05-14 Jin-Wu Jiang , Jian-Sheng Wang , Baowen Li

Thermally-densified hafnium terephthalate UiO-66(Hf) is shown to exhibit the strongest isotropic negative thermal expansion (NTE) effect yet reported for a metal-organic framework (MOF). Incorporation of correlated vacancy defects within…

We indicate the fundamental rationale underlying the control of temperature and the manipulation of thermal flux, with reference to a multilayered composite material. We show that when the orientation of the layers in the composite is…

Materials Science · Physics 2013-07-29 Krishna. P. Vemuri , P. R. Bandaru
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