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Can we specify the bias voltage applied to the left and right lead, respectively? Date: 2013/05/16 10:10 Name: Yasutaka Nishida Dear Developers, I have a question about NEGF calculation. I have compiled the NEGF package and it worked successfully. I will try to use NEGF in order to understand the relationship between electronic transport and molecular orbitals connected with both leads. Now, I consider the situation different bias voltage (chemical potential) are applied to the left and right lead respectively. For example, when the intrinsic chemical potential of the leads is -7.75eV, NEGF.bias.voltage 0.1 Left lead: -7.8 (=-7.75-0.05) Right lead: -7.7 (=-7.75+0.05) In the above example, the origin of energy is set to the intrinsic chemical potential of the leads. Can we specify the bias voltage applied to the left and right lead, respectively? I'd appreciate your help. Regards, Nishida

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Re: Can we specify the bias voltage applied to the left and right lead, respectively? ( No.1 ) Date: 2013/05/16 18:19 Name: T. Ozaki Hi, Applying bias voltage to one of the leads is the same as applying bias voltages to the two leads, respectively, from physical point view. Only the difference between them is just how much constant shift of the potential is taken into account. Note that the constant shift of the potential does not change Green's function, charge density, transmission, current, and etc. Regards, TO Re: Can we specify the bias voltage applied to the left and right lead, respectively? ( No.2 ) Date: 2013/05/16 19:17 Name: Yasutaka Nishida Dear Professor Ozaki, Thank you for your reply. I have noticed that my understanding of NEGF is not enough. I will study it again. Thank you Regards, Nishida

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