scholarly journals Thermal conductivity of monolayer MoS2, MoSe2, and WS2: interplay of mass effect, interatomic bonding and anharmonicity

RSC Advances ◽  
2016 ◽  
Vol 6 (7) ◽  
pp. 5767-5773 ◽  
Author(s):  
Bo Peng ◽  
Hao Zhang ◽  
Hezhu Shao ◽  
Yuchen Xu ◽  
Xiangchao Zhang ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Mass Effect ◽  
Monolayer Mos2 ◽  
Interatomic Bonding

Our work shows that the thermal conductivity κ of MoS2 is largest among the three materials (Fig. a and b) due to largest Debye temperature. WS2 has stronger bonding (Fig. e) and lower anharmonicity (Fig. h), leading to a much larger κ compared to MoSe2.

scholarly journals First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)

RSC Advances ◽  
2021 ◽  
Vol 11 (25) ◽  
pp. 15486-15496
Author(s):  
Enamul Haque
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Layered Structure ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Performance

The layered structure, and presence of heavier elements Rb/Cs and Sb induce high anharmonicity, low Debye temperature, intense phonon scattering, and hence, low lattice thermal conductivity.

scholarly journals Elastic Properties of Orthorhombic YBa2Cu3O7 under Pressure

Crystals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 497 ◽  
Author(s):  
Cai Chen ◽  
Lili Liu ◽  
Yufeng Wen ◽  
Youchang Jiang ◽  
Liwan Chen
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Elastic Constants ◽  
Density Functional ◽  
Elastic Anisotropy ◽  
Elastic Stability ◽  
Functional Theory ◽  
Conductivity Increase ◽  
Isotropic Pressure ◽  
The Density Functional Theory

The pressure dependence of the lattice and elastic constants of the orthorhombic YBa 2 Cu 3 O 7 are firstly investigated using the first principles calculations based on the density functional theory. The calculated lattice parameters at 0 GPa are in agreement with the available experimental data. By the elastic stability criteria under isotropic pressure, it is predicted that YBa 2 Cu 3 O 7 with and orthorhombic structure is mechanically stable under pressure up to 100 GPa. On the basis of the elastic constants, Pugh’s modulus ratio, Poisson’s ratio, elastic anisotropy, Debye temperature, and the minimum thermal conductivity of YBa 2 Cu 3 O 7 under pressure up to 100 GPa are further investigated. It is found that its ductility, Debye temperature, and minimum thermal conductivity increase with pressure.

FIRST-PRINCIPLES INVESTIGATION OF THE ELECTRONIC, ELASTIC AND THERMODYNAMIC PROPERTIES OF SUPERCONDUCTING MgB2

2014 ◽  
Vol 28 (10) ◽  
pp. 1450057 ◽  
Author(s):  
HONGYING LU ◽  
JIANPING LONG ◽  
LIJUN YANG ◽  
WEN HUANG
Keyword(s):  
Thermal Conductivity ◽  
Sound Velocity ◽  
Debye Temperature ◽  
First Principles ◽  
Function Theory ◽  
Density Function Theory ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation ◽  
Anisotropy Index ◽  
Longitudinal Sound Velocity

The electronic structure, elastic properties, Debye temperature and thermal conductivity of MgB 2 are investigated by using the first-principles density function theory within the generalized gradient approximation (GGA). The calculated elastic constants indicate that the MgB 2 is mechanically stable. The shear modulus, Young's modulus, Poisson's ratio, σ, the ratio B/G and universal anisotropy index are also calculated. Finally, the averaged sound velocity, longitudinal sound velocity, transverse sound velocity, Debye temperature and thermal conductivity are obtained.

scholarly journals The thermal behavior of rammed earth wall in traditional house in Vojvodina: Thermal mass as a key element for thermal comfort

2018 ◽  
Vol 22 (Suppl. 4) ◽  
pp. 1143-1155
Author(s):  
Vesna Lovec ◽  
Milica Jovanovic-Popovic ◽  
Branislav Zivkovic
Keyword(s):  
Thermal Conductivity ◽  
Thermal Behaviour ◽  
Mass Effect ◽  
High Heat ◽  
Rammed Earth ◽  
Thermal Mass ◽  
Building Stock ◽  
Rammed Earth Wall ◽  
Earth Walls

The conducted research examines the thermal behaviour of the rammed earth walls, which is the basic structural and fa?ade element of traditional Vojvodina house. The traditional rammed earth house represents an important part of the total building stock of Vojvodina. Earth is a locally available, cheap, natural, environmentally friendly building material and has been used extensively for traditional family houses in Vojvodina. It has ecological and ?green? characteristics, which can be assessed as very high quality, and they are of significant importance in the context of sustainable development and striving to reduce energy consumption today. The research examines thermal behaviour of rammed earth wall, including theoretical analysis of: the heat transfer coefficient, U, the thermal resistance, R, and thermal conductivity, ?. One of the basic elements of thermal behaviour, the thermal mass, has been analyzed both theoretically and by measuring in situ. The in situ measurements were conducted on the traditional house in Vojvodina by measuring inside and outside surface wall and air temperature in summer. Analyses of rammed earth wall thermal performances have shown that the wall has low thermal conductivity, high heat capacity and significant thermal mass effect which is the key element enabling thermal stability. The research indicates rather good thermal properties of the rammed earth walls. Potential of rammed earth wall in Vojvodina should be an issue of further analysis, although the possibility of improvement of existing facilities to meet current standards in terms of energy efficiency should be considered.

scholarly journals Linear correlation between Debye temperature and lattice thermal conductivity in II-VI and III-V semiconductors

2015 ◽  
Vol 3 (2) ◽  
pp. 216 ◽  
Author(s):  
Salah Daoud
Keyword(s):  
Thermal Conductivity ◽  
Simple Model ◽  
Debye Temperature ◽  
Rock Salt ◽  
Linear Correlation ◽  
Lattice Thermal Conductivity ◽  
Empirical Relationship ◽  
Average Percentage ◽  
Good Linear ◽  
Good Linear Correlation

<p>A simple linear empirical relationship between high intrinsic lattice thermal conductivity K, and Debye temperature θ<em><sub>a</sub></em> is suggested from data on high intrinsic lattice thermal conductivity K, and Debye temperature θ<em><sub>a</sub></em> for some selected II-VI and III-V cubic zincblende type, and I-VII and II-VI rock-salt type binary semiconductors. A good linear correlation between Debye temperature and the high intrinsic lattice thermal conductivity was obtained. The minimum average percentage deviations in the present approach reveal that our simple model prove its identity and soundness compared to those of other author relations.</p>

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