Negative thermal expansion due to negative area compressibility in TlGaSe2 semiconductor with layered crystalline structure

Abstract

We conducted comparison of the original experimental data of the temperature dependences of thermal expansion in crystals with layered crystalline structure. It is shown that in most crystals with layered structure (graphite, boron nitride, GaSe, GaS, and InSe) the effect of negative thermal expansion can be explained by the specific character of the phonon spectra. It was shown, that in contrast to other crystals with layered structure, negative thermal expansion in the layers’ plane of TlGaSe2 is the result of negative area compressibility. We demonstrate that the thermal expansion of TlGaSe2 crystals can be controlled by illumination, external electric field, and thermal annealing. The nature of observed effects and a special mechanism of the negative area compressibility in TlGaSe2 crystals are discussed.

Isotropic Negative Area Compressibility over Large Pressure Range in Potassium Beryllium Fluoroborate and its Potential Applications in Deep Ultraviolet Region

“…Hitherto, the NLC behavior has been found in a handful of systems in oxides, cyanides, and metal–organic crystals . The NAC behavior is limited to even fewer materials, only including silver(I) tricyanomethanide, NaV 2 O 5 , methyl benzoate, 2‐methylbenzimidazole, [Zn(L) 2 (OH) 2 ] n ·Guest, and TlGaSe 2 (its NAC behavior was confirmed by indirect method) . Compared with NLC materials, the NAC materials, especially the isotropic NAC materials, have some particular applications and one typical example is ultrasensitive ferroelectric pressure sensor .…”

Negative linear compressibility from rotating rigid units

“…Negative linear compressibility (NLC) is the anomalous property of expanding in one direction when a compressive hydrostatic pressure is applied. A few materials have been reported in literature to exhibit NLC . It has also been predicted by means of DFT simulations or ab initio calculations in platinum sulfide , some zeolites and metal‐organic frameworks (MOFs) .…”

“…It has also been predicted by means of DFT simulations or ab initio calculations in platinum sulfide , some zeolites and metal‐organic frameworks (MOFs) . Some materials not only exhibit NLC, but also exhibit the even rarer occurrence of negative area compressibility .…”

2D Structures Exhibiting Negative Area Compressibility

“…Figure (c) summarizes some idealized wine‐rack and honeycomb‐like topologies of certain chemical systems in favor of NLC . As an extension of NLC, the negative area compressibility (NAC) has been identified in some layered materials such as silver (I) tricyanomethanide, sodium vanadate, and TlGaSe 2 . These NAC mechanism occurs by means of Lifshitz mode; essentially the layers, which contain shell‐like bulges, flatten in the presence of increased pressure, thereby causing increasing in‐plane dimension, as illustrated in Figure (d) …”

“…[33] As an extension of NLC, the negative area compressibility (NAC) has been identified in some layered materials such as silver (I) tricyanomethanide, [34] sodium vanadate, [35][36][37][38][39] and TlGaSe 2 . [40] These NAC mechanism occurs by means of Lifshitz mode [41] ; essentially the layers, which contain shell-like bulges, flatten in the presence of increased pressure, thereby causing increasing in-plane dimension, as illustrated in Figure 1(d). [34] All the mechanisms described thus far are made possible, primarily by means of angular change.…”