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 ◽  
...  

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.

RSC Advances ◽  
2021 ◽  
Vol 11 (25) ◽  
pp. 15486-15496
Author(s):  
Enamul Haque

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.


Crystals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 497 ◽  
Author(s):  
Cai Chen ◽  
Lili Liu ◽  
Yufeng Wen ◽  
Youchang Jiang ◽  
Liwan Chen

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.


2014 ◽  
Vol 28 (10) ◽  
pp. 1450057 ◽  
Author(s):  
HONGYING LU ◽  
JIANPING LONG ◽  
LIJUN YANG ◽  
WEN HUANG

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.


2018 ◽  
Vol 22 (Suppl. 4) ◽  
pp. 1143-1155
Author(s):  
Vesna Lovec ◽  
Milica Jovanovic-Popovic ◽  
Branislav Zivkovic

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.


2015 ◽  
Vol 3 (2) ◽  
pp. 216 ◽  
Author(s):  
Salah Daoud

<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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