Pressure induced phase transitions in transition metal nitrides: <i>Ab initio</i> study

Srivastava, Anurag; Chauhan, Mamta; Singh, Rachna

doi:10.1002/pssb.201046589

Cited by 33 publications

(20 citation statements)

References 35 publications

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“…In general, our data are accord with the previous theoretical estimations [10][11][12][13][14][15][16] except that the bulk modulus of the RS phase is predicted to be quite less relative to them.…”

Section: Durandurdusupporting

confidence: 94%

“…The high-pressure behaviour of TiN has been investigated by different theoretical approaches using the thermodynamic theorem [9][10][11][12][13]15,16] as well. All these theoretical calculations focused on the stability of the RS and CsCl-type crystals since the RS-structured materials typically transform into a CsCl-type crystal with the application of pressure though there are some exceptional cases.…”

Section: Introductionmentioning

confidence: 99%

“…Its response to extreme temperature and pressure conditions is of particular importance [8][9][10][11][12][13] when its high-tech applications are deliberated. High-pressure X-ray diffraction experiment [8] on polycrystalline powder TiN suggested the existence of a phase transition with a first-order nature at 7.0 GPa.…”

Section: Introductionmentioning

confidence: 99%

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High-pressure phase transitions of TiN: anab initioconstant pressure study

Durandurdu

2015

Philosophical Magazine

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An ab initio constant pressure molecular dynamics technique is carried out to explore the behaviour of rock salt-structured titanium nitride (TiN) under pressure. Two successive phase transformations are successfully observed in the dynamical simulations. The first one is an isostructural phase transition accompanied by an anomalous volume compression without any symmetry breaking. The second one is a reconstructive phase transformation into a CsCl-type structure. For the first time, the previously proposed two-phase transformations for TiN are confirmed through the simulations.

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Section: Durandurdusupporting

confidence: 94%

Section: Introductionmentioning

confidence: 99%

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High-pressure phase transitions of TiN: anab initioconstant pressure study

Durandurdu

2015

Philosophical Magazine

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“…Patterns from Alloy 3 are shown in Figure 5 and are indexed with respect to the Nb and Ni 10 Zr 7 phases along the [111] and [301] zone axes, respectively. The first phase, Nb has a body centred cubic cell with a 3.378Å and space group Im-3m (Srivastana et al, 2011). The second phase, Ni 10 Zr 7 has the same crystal cell, lattice parameters…”

Section: Resultsmentioning

confidence: 99%

“…Reported cell volume (Å 3 ) (Fang et al, 1992;Srivastana et al, 2011) Ni Table 2 and discussed below.…”

Section: Measured Lattice Parameters (A°)mentioning

confidence: 99%

Crystalline phases found in rapidly quenched Ni–Nb–Zr alloys

Déo

Kaufman

Wang

et al. 2017

Journal of Microscopy

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The properties of metallic alloys can be significantly improved by developing non-equilibrium phases in the microstructures through rapid solidification techniques, thus the characterisation of these unusual structures is extremely important. In this research, the microstructures of three rapidly quenched alloys, namely Ni Nb Zr , Ni Nb Zr and Ni Nb Zr (at. %) were investigated in greater detail in order to determine the structures and compositions of their crystalline phases. These crystalline phases were characterised using a combination of scanning electron microscopy, energy dispersive x-ray spectroscopy, x-ray diffraction and transmission electron microscopy techniques. The phases were compared to the crystalline structures reported in the literature. Our results indicate some agreement with the Ni-Nb phase diagram and an isothermal section of the Ni-Nb-Zr phase diagram; however, it is detected zirconium solubility in the Ni Nb phase, as well as, the absence of expected crystalline phases.

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Multilayer Metal‐Oxide Memristive Device with Stabilized Resistive Switching

Mikhaylov

Belov

Королев

et al. 2019

Adv Materials Technologies

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nanoelectronic devices with the effect of resistive switching, which consists in a reversible change of resistance in response to electrical stimulation [5] and is identified with the memristive effect. [6] Despite the significant progress in understanding of the memristive effect and approaching maturity of the technology of resistiveswitching devices over the last 10 years, there are still a number of fundamental problems to solve.A key problem on the way of using resistive-switching devices as programmable elements in memory devices and mixed analog-digital processors of new generation is the variability of resistive switching parameters inherent to memristive thin-film devices. [7] Achieving stable switching between the nonlinear resistive states is also an important task on the way to implementing large passive crossbar arrays of memristors and solving the problem of leakage currents in them. [8,9] Metal-oxide memristive devices are most compatible with the traditional complementary metal oxide semiconductor (CMOS) process and exhibit a valence change memory effect. [10] The variation of switching parameters in such devices is caused by the stochastic nature of migration of oxygen ions and/or vacancies responsible for the local oxidation and recovery of conductive channels (filaments) and is accompanied by the degradation of switching parameters in the case of uncontrolled oxygen exchange between the dielectric and electrode materials.The traditional approaches to control the reproducibility of resistive switching include the formation of special electric field concentrators [11][12][13] and appropriate selection of materials/interfaces in memristive device structure. In the latter case, bilayer or multilayer structures are formed, in which the switching oxide alternates with a barrier/buffer layer (layers) to control the migration of oxygen vacancies, [14,15] with a layer of low dielectric constant [16,17] to obtain nonlinear currentvoltage (I-V) characteristics, or with a layer of higher/lower thermal conductivity [18,19] for the removal/retention of heat in the switching area and to achieve analog switching character. To tune the resistive states with given accuracy, regardless of

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Pressure induced phase transitions in transition metal nitrides: Ab initio study

Cited by 33 publications

References 35 publications

High-pressure phase transitions of TiN: anab initioconstant pressure study

High-pressure phase transitions of TiN: anab initioconstant pressure study

Crystalline phases found in rapidly quenched Ni–Nb–Zr alloys

Multilayer Metal‐Oxide Memristive Device with Stabilized Resistive Switching

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