journal article·2026-08

Accurate calculation of anisotropic compressibility and pressure-induced phase transition in organic-inorganic hybrid semiconductor β-ZnTe(en)0.5

Xuwei Gong, Biao Zeng, Yong Zhang, Yi-Yang Sun

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (60)

Show source-provided references
1. Copper iodide based hybrid phosphors for energy-efficient general lighting technologies
2. Applications of hybrid organic–inorganic nanocomposites10.1039/b509097k ↗
3. Review on charge carrier transport in inorganic and organic semiconductors10.3390/coatings13091657 ↗
4. 2007
5. Characterisation of organic–inorganic hybrid materials of the types ZnxCd1−xSe(1,3-diaminopropane)1/2 and ZnSySe1−y(1,3-diaminopropane)1/210.1016/j.materresbull.2017.11.055 ↗
6. Key advancements and emerging trends of perovskite solar cells in 2024–202510.1007/s40820-025-02022-6 ↗
7. Research progress on hybrid organic–inorganic perovskites for photo-applications10.1016/j.cclet.2020.05.016 ↗
8. Organic—inorganic hybrid solar cells: A comparative review10.1016/j.solmat.2012.07.006 ↗
9. Multiple-stage structure transformation of organic-inorganic hybrid perovskite CH3NH3PbI3
10. The light and shade of perovskite solar cells10.1038/nmat4065 ↗
11. A short review on progress in perovskite solar cells10.1016/j.materresbull.2021.111700 ↗
12. Improved stability of ambient air-processed methylammonium lead iodide using carbon nanotubes for perovskite solar cells10.1016/j.materresbull.2020.111182 ↗
13. The first covalent organic-inorganic networks of hybrid chalcogenides: Structures that may lead to a new type of quantum wells10.1021/ja002224n ↗
14. From 1D chain to 3D network: Tuning hybrid II-VI nanostructures and their optical properties10.1021/ja0343611 ↗
15. Novel inorganic-organic-layered structures: Crystallographic understanding of both phase and morphology formations of one-dimensional CdE (E=S, Se, Te) nanorods in ethylenediamine10.1021/ic025846d ↗
16. II-VI based organic-inorganic hybrid structures: Brief review and perspective10.1016/j.jlumin.2022.118936 ↗
17. Inorganic-organic hybrid composites containing MQ (II-VI) slabs: A new class of nanostructures with strong quantum confinement and periodic arrangement10.1021/cm010403d ↗
18. II–VI organic–inorganic hybrid nanostructures with greatly enhanced optoelectronic properties, perfectly ordered structures, and shelf stability of over 15 years10.1021/acsnano.1c03219 ↗
19. Degradation kinetics of organic–inorganic hybrid materials from micro-raman spectroscopy and density-functional theory: The case of β-ZnTe(en)0.510.1002/smll.202302935 ↗
20. R. Mei, Y.-Z. Wang, X.-L. Liu, T.A. Schmedake, Y. Zhang, P.-H. Tan, Giant exciton binding energy in a three-dimensional organic–inorganic hybrid semiconductor, J. Am. Chem. Soc. jacs.5c15468.
21. Zero thermal expansion in a nanostructured inorganic-organic hybrid crystal10.1103/PhysRevLett.99.215901 ↗
22. Novel approach to tuning the physical properties of organic-inorganic hybrid semiconductors10.1103/PhysRevLett.96.026405 ↗
23. Phase transitions of β-ZnTe(en)0.5 under hydrostatic pressure10.1063/5.0266352 ↗
24. Metal–organic frameworks under pressure10.1063/1.5126911 ↗
25. Pillared-layered metal–organic frameworks for mechanical energy storage applications10.1039/C9TA01586H ↗
26. Pressure effects on metal/covalent-organic frameworks: Structural and optical properties10.1007/s11426-024-2050-5 ↗
27. Giant negative linear compressibility, isosymmetric phase transition, and breathing effect in a 3D covalent organic framework10.1021/acs.jpcc.3c06949 ↗
28. Anisotropic thermal transport in organic–inorganic hybrid crystal β-ZnTe(en)0.510.1021/acs.jpcc.5b09527 ↗
29. Lattice dynamics and structural phase stability of group-IV elemental solids with the r2SCAN functional10.1103/znkf-3g37 ↗
30. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
31. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
32. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
33. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
34. Restoring the density-gradient expansion for exchange in solids and surfaces10.1103/PhysRevLett.100.136406 ↗
35. A consistent and accurate abinitio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
36. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
37. Strongly constrained and appropriately normed semilocal density functional10.1103/PhysRevLett.115.036402 ↗
38. Accurate and numerically efficient r2SCAN meta-generalized gradient approximation10.1021/acs.jpclett.0c02405 ↗
39. Versatile van der Waals density functional based on a meta-generalized gradient approximation
40. Nonlocal van der Waals density functional made simple and efficient10.1103/PhysRevB.87.041108 ↗
41. Van der Waals density functional for general geometries10.1103/PhysRevLett.92.246401 ↗
42. Efficient implementation of a van der Waals density functional: Application to double-wall carbon nanotubes10.1103/PhysRevLett.103.096102 ↗
43. Van der Waals density functionals applied to solids10.1103/PhysRevB.83.195131 ↗
44. Symmetry-general least-squares extraction of elastic data for strained materials from abinitio calculations of stress10.1103/PhysRevB.65.104104 ↗
45. abinitio Force constant approach to phonon dispersion relations of diamond and graphite10.1209/0295-5075/32/9/005 ↗
46. First-principles determination of the soft mode in cubic ZrO210.1103/PhysRevLett.78.4063 ↗
47. First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
48. First-principles phonon calculations with Phonopy and Phono3py10.7566/JPSJ.92.012001 ↗
49. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory10.1103/PhysRevB.55.10355 ↗
50. Phonons and related crystal properties from density-functional perturbation theory10.1103/RevModPhys.73.515 ↗
51. Linear optical properties in the projector-augmented wave methodology10.1103/PhysRevB.73.045112 ↗
52. Infrared intensities and Raman-scattering activities within density-functional theory10.1103/PhysRevB.54.7830 ↗
53. Raman spectra and lattice dynamics of cubic gauche nitrogen10.1063/1.2780844 ↗
54. High-throughput computation of Raman spectra from first principles10.1038/s41597-023-01988-5 ↗
55. Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3 : Vibrational spectra and thermal transport10.1039/C7CP01680H ↗
56. First-principles study of the structural, electronic, vibrational, and elastic properties of orthorhombic NiSi10.1103/PhysRevB.79.094101 ↗
57. Study of phase selectivity of organic-inorganic hybrid semiconductors10.1021/cm0603811 ↗
58. Isosymmetric phase transitions in crystals: From subtle rearrangements to functional properties10.3390/cryst15090807 ↗
59. Crystal structure prediction using abinitio initio evolutionary techniques: Principles and applications10.1063/1.2210932 ↗
60. Crystal structure prediction via particle-swarm optimization