Optimization of heat capacities of wurtzite phases as a single system and thermodynamic properties of nihonium nitride

V.P. Vassiliev; C.M. Stanley

doi:10.1016/j.calphad.2025.102824

journal article·2025-06

Optimization of heat capacities of wurtzite phases as a single system and thermodynamic properties of nihonium nitride

V.P. Vassiliev, C.M. Stanley

Calphad· Volume 89

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OpenAlex topics: Thermal properties of materials · Metal and Thin Film Mechanics · Semiconductor materials and devices

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References (99)

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1. The critical analysis and mutual coherence of the thermodynamic data of the AIIIBV phases10.1016/j.intermet.2011.07.023 ↗

2. Method of the correlative optimization of heat capacities of isostructural compounds10.1016/j.jallcom.2012.10.075 ↗

3. Relationship of thermodynamic data with periodic law10.1515/pac-2018-0717 ↗

4. Description of the heat capacity of solid phases by a multiparameter family of functions10.1016/j.jallcom.2021.159682 ↗

5. Optimization of the heat capacities of diamond-like compounds

6. Optimizing the heat capacities of sphalerite phases as single system, or how nuclear physics can help physical chemistry10.1016/j.calphad.2024.102687 ↗

7. Realization of homojunction PN AlN diodes

8. Recent advances in III–V nitrides: properties, applications and perspectives10.1039/D4TC02615B ↗

9. Introduction to gallium nitride properties and applications

10. Lithium polysulfide catalytic mechanism of AlN/InN heterojunction by first-principles calculation10.3390/catal14050323 ↗

11. Blue and UV semiconductor lasers

12. Thermodynamic properties of boron nitride

13. Experimental study of boron nitride in a wide temperature interval10.1088/1742-6596/1382/1/012176 ↗

14. 1982

15. Study of the heat capacity and thermodynamic functions of boron nitride of various modifications in the temperature range 4.2-320K

16. Izvestiya academy of sciences USSR

17. Mah · 1961 · 5716

18. High temperature enthalpy and heat capacity of GaN10.1016/S0040-6031(02)00547-6 ↗

19. Specific heat capacity of gallium nitride

20. 1998 · vols. 98–18 · 38

21. High temperature heat content measurements of the III-V (III: Al, Ga, V: N, P, As, Sb)10.2320/jinstmet1952.53.8_764 ↗

22. “High temperature heat contents of III-V semiconductor systems,Thermochim

23. Thermodynamics and phase stability in the Ga–N system10.1016/S0022-0248(03)01352-6 ↗

24. Thermal expansion of gallium nitride10.1063/1.357273 ↗

25. Specific heat at constant pressure from first principles: contributions from fully anharmonic vibrations10.1088/2053-1591/ab7157 ↗

26. Structure and heat capacity of wurtzite GaN from 113 to 1073 K10.1088/0256-307X/16/2/011 ↗

27. High temperature enthalpy, heat capacity and other thermodynamic functions of solid InN10.1016/j.jpcs.2003.12.004 ↗

28. Thermodynamics and phase stability in the In-N system10.1557/JMR.2002.0445 ↗

29. Low-temperature heat capacity, entropy, and enthalpy of aluminum and gallium nitrides

30. Temperature-dependence of the thermodynamic proper- ties gallium nitride at 5-300 degrees k

31. Temperature changes of thermodynamical AlN (5-2700 K), GaP(5-1500 K) and BP(5-800 K) functions were determined according to results of measuring specific heat of AlN, GaP and BP for 5-300 K

32. Thermodynamic properties of AlN (5-2700K), GaP (5-1500K) and BP (5-800K)

33. Phonon excitations and related thermal properties of aluminum nitride10.1103/PhysRevB.57.10550 ↗

34. Phonon density of states of bulk gallium nitride10.1063/1.121714 ↗

35. Calculation of the thermodynamic properties of AIII nitrides10.1016/j.jcrysgro.2005.09.043 ↗

36. Heat capacity and phonon spectra of AIIIN10.1007/s10973-008-9246-1 ↗

37. Interaction potential for aluminum nitride: a molecular dynamics study of mechanical and thermal properties of crystalline and amorphous aluminum nitride10.1063/1.3525983 ↗

38. Heat capacity and phonon mean free path of wurtzite GaN10.1063/1.2335373 ↗

39. Heat capacity of α-GaN: isotope effects10.1103/PhysRevB.72.075209 ↗

40. Investigation of the entropy and specific heat capacity of GaN using incomplete gamma functions10.1142/S0217979208049418 ↗

41. 1999 · 38

42. Thermal properties of indium nitride10.1016/S0022-3697(97)00222-9 ↗

43. Characteristic non-Debye heat capacity formula applied to GaN and ZnO10.1063/1.3622668 ↗

44. Non-equilibrium phase transitions and amorphization in Si, Si/GaAs, Ge, and Ge/Gasb at the decompression of high- pressure phases10.1103/PhysRevB.51.7549 ↗

45. Formation of hexagonal-wurtzite germanium by pulsed laser ablation10.1016/S0038-1098(00)00259-3 ↗

46. Structural transitions in elemental tin at ultra high pressures up to 230 GPa10.1134/S0021364017230011 ↗

48. Elastic constants of cubic and wurtzite boron nitrides10.1063/1.4811789 ↗

49. Recent development of boron nitride towards electronic applications10.1002/aelm.201600485 ↗

50. Crystal structure refinement of AIN and GaN10.1016/0038-1098(77)90959-0 ↗

51. Rietveld-refinement study of aluminium and gallium nitrides10.1016/j.jallcom.2004.05.036 ↗

52. Lattice parameters of aluminum nitride in the range 10-291 K10.12693/APhysPolA.101.781 ↗

53. Thermal expansion of polycrystalline gallium nitride: an X‐ray diffraction study10.1002/xrs.2644 ↗

54. Mechanical, thermodynamic and electronic properties of wurtzite and zinc- blende GaN crystals10.3390/ma10121419 ↗

55. Rietveld refinement for indium nitride in the 105–295 K range10.1154/1.1566957 ↗

56. Pilyankevich · Bull. Acad. Sci. USSR 4Phys. Ser. (Engl. Transl.) · 1974 · 38 · 163

57. Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of Pmc21

58. A comprehensive study of the high-pressure– temperature phase diagram of silicon10.1007/s10853-018-2087-9 ↗

59. Wurtzite silicon as a potential absorber in photovoltaics: tailoring the optical absorption by applying strain10.1103/PhysRevB.92.045207 ↗

60. High-pressure structural transformations of Sn up to 138 GPa: angle-dispersive synchrotron x-ray diffraction study

61. 2002

62. Thermal stability of indium nitride at elevated temperature and nitrogen pressure10.1016/0025-5408(70)90028-0 ↗

63. III–V Nitrides—thermodynamics and crystal growth at high N2 pressure10.1016/0022-3697(94)00257-6 ↗

64. Recent results in the crystal growth of GaN at high N2 pressure internet J. Nitride semicond

65. Thermodynamic aspects of the GaN deposition from the gaseous phase10.1016/0167-577X(96)00057-2 ↗

66. Thermodynamical properties of III-V nitrides and crystal growth of GaN at high N2 pressure10.1016/S0022-0248(97)00072-9 ↗

67. Thermodynamic assessment of the gallium–nitrogen system10.1002/1521-396X(200111)188:1<407::AID-PSSA407>3.0.CO;2-P ↗

68. Experimental and theoretical studies of phonons in hexagonal InN10.1063/1.125330 ↗

69. Structural changes of wurtzite-type and zincblende-type boron nitrides by shock treatments10.1007/BF02431652 ↗

70. A. Yoshiasa low-temperature heat capacity of wurtzite-type boron nitride10.1143/JJAP.36.5644 ↗

71. Oxidation of GaN: an ab initio thermodynamic approach10.1103/PhysRevB.88.165201 ↗

72. Characterization of wurtzite type boron nitride synthesized by shock compression10.1016/0025-5408(74)90110-X ↗

73. Structure and properties modification in boron nitride. Part I: direct polymorphic transformations mecanisms

74. High-temperature phase transitions in dense germanium10.1063/5.0047359 ↗

75. Tin (Sn) at high pressure: review, X-ray diffraction, DFT calculations, and Gibbs energy modeling10.1016/j.jallcom.2022.165675 ↗

76. High-pressure and high-temperature study of phase transitions in solid germanium10.1002/pssb.200301847 ↗

77. First-principles study of the structural phase transition in Sn10.3938/jkps.56.494 ↗

78. X-ray powder diffraction data for indium nitride10.1017/S0885715600010630 ↗

79. The SIESTA method for ab initio order-N materials simulation10.1088/0953-8984/14/11/302 ↗

80. The SIESTA method; developments and applicability10.1088/0953-8984/20/6/064208 ↗

81. Siesta: recent developments and applications10.1063/5.0005077 ↗

82. Efficacious form for model pseudopotentials

83. J. Oroya, A. Martín, M. Callejo, M.García-Mota, and F. Marchesin in “Pseudopotential and Numerical Atomic Orbitals Basis Dataset”, provided by SIMUNE Atomistics (www.simuneatomistics.com).

84. Perdew · Phys. Rev. Lett. · 1996 · 77 · 386510.1103/PhysRevLett.77.3865 ↗

85. Ground state of the electron gas by a stochastic method10.1103/PhysRevLett.45.566 ↗

86. Thermodynamics of impurities in semiconductors10.1103/PhysRevB.70.125209 ↗

87. Vibrational enthalpies of solid crystalline materials10.3390/solids3020023 ↗

88. The role of interface vibrational modes in thermal boundary resistance10.1002/pssa.202170063 ↗

89. Heat flow across an oxide layer in Si10.1002/pssa.201700204 ↗

90. Phonon dynamics at an oxide layer in silicon: heat flow and kapitza resistance10.1002/pssa.201800428 ↗

91. Phonon-phonon interactions: first principles theory10.1063/1.4929452 ↗

92. Thermodynamic properties of lead10.1016/j.calphad.2012.08.004 ↗

93. Heat capacity of lead from 0 to 900°C, and the heat capacity of the lead-bismuth eutectic alloy from 150 to 800°C10.1021/ja01648a016 ↗

94. Gray · 1972

95. Kubaschewski · 1979

96. Jieqiong Zhang, Junzhi Cui, Zihao Yang, Yifan Yu.Heat capacity and thermal expansion of metal crystalline materials based on dynamic thermal vibration. Comput. Mech. DOI:10.1007/s00466-018-1632-3.10.1007/s00466-018-1632-3 ↗

97. Anomale spezifische Wärmen und fehlordnung der Metalle Indium, Zinn, Bleu, Zink, Antimon und Aluminium10.1016/0001-6160(72)90070-3 ↗

98. Thermodynamic description of the Pb-O system10.1361/105497198770342238 ↗

99. Theoretical chemistry of the heaviest elements